1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole

C21H15ClN2 — CID 11702687

IUPAC1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
SMILESClc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H15ClN2/c22-17-11-13-18(14-12-17)24-20-9-5-4-8-19(20)23-21(24)15-10-16-6-2-1-3-7-16/h1-15H/b15-10+
InChIKeyPLBCSWLBWGNCMH-XNTDXEJSSA-N
MW330.82 g/mol
LogP5.85
Rot. Bonds3

About 1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole

1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole (PubChem CID 11702687) has the molecular formula C21H15ClN2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
PubChem CID11702687
Molecular FormulaC21H15ClN2
Molecular Weight330.82 g/mol
Exact Mass330.09
IUPAC Name1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
SMILESClc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H15ClN2/c22-17-11-13-18(14-12-17)24-20-9-5-4-8-19(20)23-21(24)15-10-16-6-2-1-3-7-16/h1-15H/b15-10+
InChIKeyPLBCSWLBWGNCMH-XNTDXEJSSA-N
XLogP5.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline
CID 170794695
1-phenyl-2-[(E)-2-pyridin-3-ylethenyl]benzimidazole
CID 67621656
N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
CID 3304357
N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline
CID 21357057
1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
CID 22736683
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole
CID 54183836
1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
CID 22736649
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879216
(E)-3-[3-[1-(4-chlorophenyl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10362929
N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
CID 74013981
2-[2-(1-benzylindol-3-yl)ethenyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 3755492

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole?
The IUPAC name of 1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole (CID 11702687) is 1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole is Clc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole?
The InChIKey is PLBCSWLBWGNCMH-XNTDXEJSSA-N. The full InChI is InChI=1S/C21H15ClN2/c22-17-11-13-18(14-12-17)24-20-9-5-4-8-19(20)23-21(24)15-10-16-6-2-1-3-7-16/h1-15H/b15-10+.
What are the key properties of 1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole?
1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole has a molecular weight of 330.82 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole is sourced from PubChem (CID 11702687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).