CAS
97805-02-2 Purity
96%
97805-02-2 Purity
96%
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1-Imidazol-1-yl-2-[4-(2-imidazol-1-ylacetyl)-2,3,5,6-tetramethylphenyl]ethanone
CAS
97805-07-7
Catalog Number
ACM97805077
Category
Other Products
Molecular Weight
350.414 g/mol
Molecular Formula
C20H22N4O2
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Specification
Synonyms
CID57320, LS-13603, 4-((1-Imidazolylcarbonyl)methyl)-2-(1-imidazolyl)-2,3,5,6-tetramethylacetophenone, Acetophenone, 4-((1-imidazolylcarbonyl)methyl)-2-(1-imidazolyl)-2,3,5,6-tetramethyl-, ACETOPHENONE, 4-((1-IMIDAZOLYLCARBONYL)METHYL)-2-(1-IMIDAZOLYL)-2,3,5,6-TET, 97805-07-7
IUPAC Name
1-imidazol-1-yl-2-[4-(2-imidazol-1-ylacetyl)-2,3,5,6-tetramethylphenyl]ethanone
Canonical SMILES
CC1=C(C(=C(C(=C1CC(=O)N2C=CN=C2)C)C)C(=O)CN3C=CN=C3)C
InChI Key
DXXGVUQJLGGWMJ-UHFFFAOYSA-N
Boiling Point
640.5ºC at 760 mmHg
Flash Point
341.2ºC
Density
1.2g/cm³
Exact Mass
350.17400
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound with the PubChem CID 57320?
The molecular formula is C20H22N4O2.
What is the IUPAC name of the compound with the PubChem CID 57320?
The IUPAC name is 1-imidazol-1-yl-2-[4-(2-imidazol-1-ylacetyl)-2,3,5,6-tetramethylphenyl]ethanone.
What is the molecular weight of the compound with the PubChem CID 57320?
The molecular weight is 350.4 g/mol.
What is the InChIKey of the compound with the PubChem CID 57320?
The InChIKey is DXXGVUQJLGGWMJ-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound with the PubChem CID 57320 have?
It has 4 hydrogen bond acceptors.
What is the XLogP3-AA value of the compound with the PubChem CID 57320?
The XLogP3-AA value is 2.6.
What is the topological polar surface area of the compound with the PubChem CID 57320?
The topological polar surface area is 69.8 Å2.
How many rotatable bond counts does the compound with the PubChem CID 57320 have?
It has 5 rotatable bond counts.
Is the compound with the PubChem CID 57320 canonicalized?
Yes, the compound is canonicalized.
When was the compound with the PubChem CID 57320 created and modified?
It was created on August 8, 2005, and last modified on December 30, 2023.
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