2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile

C17H13N3 — CID 82144934

IUPAC2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile
SMILESN#CCn1c(/C=C/c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H13N3/c18-12-13-20-16-9-5-4-8-15(16)19-17(20)11-10-14-6-2-1-3-7-14/h1-11H,13H2/b11-10+
InChIKeyGZYYDTFSPFIXTM-ZHACJKMWSA-N
MW259.31 g/mol
LogP3.73
Rot. Bonds3

About 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile

2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile (PubChem CID 82144934) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile
PubChem CID82144934
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile
SMILESN#CCn1c(/C=C/c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H13N3/c18-12-13-20-16-9-5-4-8-15(16)19-17(20)11-10-14-6-2-1-3-7-14/h1-11H,13H2/b11-10+
InChIKeyGZYYDTFSPFIXTM-ZHACJKMWSA-N
XLogP3.73
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile
CID 82144945
4-[2-[1-(cyanomethyl)benzimidazol-2-yl]ethenyl]benzoic acid
CID 154747114
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
CID 2768870
1-octadecyl-2-(2-phenylethenyl)benzimidazole
CID 4153645
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile
CID 39148173
2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile
CID 83416613
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
1-(3-naphthalen-2-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879224

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile (CID 82144934) is 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile is N#CCn1c(/C=C/c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile?
The InChIKey is GZYYDTFSPFIXTM-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H13N3/c18-12-13-20-16-9-5-4-8-15(16)19-17(20)11-10-14-6-2-1-3-7-14/h1-11H,13H2/b11-10+.
What are the key properties of 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile?
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82144934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).