4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile

C17H10N4 — CID 3149504

IUPAC4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile
SMILESN#CC(=Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H10N4/c18-10-13-7-5-12(6-8-13)9-14(11-19)17-20-15-3-1-2-4-16(15)21-17/h1-9H,(H,20,21)
InChIKeyNHYFEKFQPKPKMQ-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.50
Rot. Bonds2

About 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile

4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile (PubChem CID 3149504) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile
PubChem CID3149504
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile
SMILESN#CC(=Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H10N4/c18-10-13-7-5-12(6-8-13)9-14(11-19)17-20-15-3-1-2-4-16(15)21-17/h1-9H,(H,20,21)
InChIKeyNHYFEKFQPKPKMQ-UHFFFAOYSA-N
XLogP3.50
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile 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-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile
CID 2789977
2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile
CID 2858074
(E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enenitrile
CID 139178887
2-(1H-benzimidazol-2-yl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enenitrile
CID 3480917
2-(1H-benzimidazol-2-yl)-3-quinoxalin-6-ylprop-2-enenitrile
CID 4897168
(Z)-2-(1H-benzimidazol-2-yl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 78785860
2-(1H-benzimidazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
CID 3149509
3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]propanoic acid
CID 94132511
2-(1H-benzimidazol-2-yl)-3-hydroxyprop-2-enenitrile
CID 903305
(Z)-2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile
CID 135482391
(E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enenitrile;ethanol
CID 139178886
[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] benzenesulfonate
CID 126072028

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile?
The IUPAC name of 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile (CID 3149504) is 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile is N#CC(=Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile?
The InChIKey is NHYFEKFQPKPKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-10-13-7-5-12(6-8-13)9-14(11-19)17-20-15-3-1-2-4-16(15)21-17/h1-9H,(H,20,21).
What are the key properties of 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile?
4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile has a molecular weight of 270.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile is sourced from PubChem (CID 3149504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).