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Structure

2-(4-Bromophenyl)-1-phenyl-1H-benzoimidazole

CAS
2620-76-0
Catalog Number
ACM2620760-2
Category
Imidazoles
Molecular Weight
349.2
Molecular Formula
C19H13BrN2

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Specification

IUPAC Name
2-(4-bromophenyl)-1-phenylbenzimidazole
Canonical SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H13BrN2/c20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13H
InChI Key
DXRLALXPCIOIDK-UHFFFAOYSA-N
Boiling Point
160 - 170 °C
Melting Point
160-170 °C
Appearance
Off- white powder
Complexity
360
Covalently-Bonded Unit Count
1
Exact Mass
348.02621g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
22
Monoisotopic Mass
348.02621g/mol
Rotatable Bond Count
2
XLogP3
5.5

Upstream Synthesis Route 1

  • 359427-13-7
  • 2620-76-0

Reference: [1] Advanced Functional Materials, 2010, vol. 20, # 3, p. 399 - 408

Upstream Synthesis Route 2

  • 586-75-4
  • 534-85-0
  • 2620-76-0

Reference: [1] Patent: US9112159, 2015, B2, . Location in patent: Page/Page column 43

Upstream Synthesis Route 3

  • 1311407-94-9
  • 2620-76-0

Reference: [1] Patent: US2011/251401, 2011, A1, . Location in patent: Page/Page column 18

Upstream Synthesis Route 4

  • 359427-13-7
  • 2620-76-0

Reference: [1]Advanced Functional Materials,2010,vol. 20,p. 399 - 408

Upstream Synthesis Route 5

  • 1122-91-4
  • 534-85-0
  • 2620-76-0

Reference: [1]Patent: CN107011268,2017,A .Location in patent: Paragraph 0083; 0085; 0087; 0088

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