n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine

CAS

927880-89-5

Catalog Number

ACM927880895

Category

Other Products

Molecular Weight

349.310470 [g/mol]

Molecular Formula

C₁₆H₁₄F₃N₅O

MSDS COA Spec Sheet

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Specification

Synonyms

1,2-benzenediamine,n1-methyl-4-[[2-[5-(trifluoromethyl)-1h-imidazol-2-yl]-4-pyridinyl]oxy]-, 927880-89-5, SCHEMBL1435536, MADZKMFFVWYSOC-UHFFFAOYSA-N, SC-57863, KB-241822, 4-(2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yloxy)-N1-methylbenzene-1,2-diamine

IUPAC Name

1-N-methyl-4-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzene-1,2-diamine

Canonical SMILES

CNC1=C(C=C(C=C1)OC2=CC(=NC=C2)C3=NC=C(N3)C(F)(F)F)N

InChI Key

MADZKMFFVWYSOC-UHFFFAOYSA-N

Boiling Point

563.3±50.0 °C (760 mmHg)

Density

1.423±0.06 g/cm³ (20 °C, 760 mmHg)

Exact Mass

349.11500

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine?

The molecular formula is C16H14F3N5O.

What are the synonyms for n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine?

The synonyms include 927880-89-5, 1,2-benzenediamine,n1-methyl-4-[[2-[5-(trifluoromethyl)-1h-imidazol-2-yl]-4-pyridinyl]oxy]-, SCHEMBL1435536, 4-(2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yloxy)-N1-methylbenzene-1,2-diamine, N1-methyl-4-({2-[4-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)benzene-1,2-diamine, and more.

What is the molecular weight of n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine?

The molecular weight is 349.31 g/mol.

What is the IUPAC name of n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine?

The IUPAC name is 1-N-methyl-4-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzene-1,2-diamine.

What is the InChI of n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine?

The InChI is InChI=1S/C16H14F3N5O/c1-21-12-3-2-9(6-11(12)20)25-10-4-5-22-13(7-10)15-23-8-14(24-15)16(17,18)19/h2-8,21H,20H2,1H3,(H,23,24).

What is the InChIKey of n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine?

The InChIKey is MADZKMFFVWYSOC-UHFFFAOYSA-N.

What is the canonical SMILES of n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine?

The canonical SMILES is CNC1=C(C=C(C=C1)OC2=CC(=NC=C2)C3=NC=C(N3)C(F)(F)F).

What is the XLogP3-AA value of n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine?

The XLogP3-AA value is 2.4.

How many hydrogen bond donor counts does n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine have?

It has 3 hydrogen bond donor counts.

How many rotatable bond counts does n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine have?

It has 4 rotatable bond counts.