2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile

C18H15N3 — CID 82144945

IUPAC2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile
SMILESCc1ccc(/C=C/c2nc3ccccc3n2CC#N)cc1
InChIInChI=1S/C18H15N3/c1-14-6-8-15(9-7-14)10-11-18-20-16-4-2-3-5-17(16)21(18)13-12-19/h2-11H,13H2,1H3/b11-10+
InChIKeyJOAZFRCEPDDZFD-ZHACJKMWSA-N
MW273.34 g/mol
LogP4.04
Rot. Bonds3

About 2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile

2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile (PubChem CID 82144945) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile
PubChem CID82144945
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile
SMILESCc1ccc(/C=C/c2nc3ccccc3n2CC#N)cc1
InChIInChI=1S/C18H15N3/c1-14-6-8-15(9-7-14)10-11-18-20-16-4-2-3-5-17(16)21(18)13-12-19/h2-11H,13H2,1H3/b11-10+
InChIKeyJOAZFRCEPDDZFD-ZHACJKMWSA-N
XLogP4.04
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile
CID 82144934
4-[2-[1-(cyanomethyl)benzimidazol-2-yl]ethenyl]benzoic acid
CID 154747114
2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
CID 157188103
1-methyl-2-[2-(4-methylphenyl)ethenyl]benzimidazole
CID 54355497
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
4-[5,6-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]butanenitrile
CID 82150474
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
1-ethyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzimidazole
CID 6489920
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline
CID 78505875

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile (CID 82144945) is 2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile is Cc1ccc(/C=C/c2nc3ccccc3n2CC#N)cc1.
What is the InChIKey of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile?
The InChIKey is JOAZFRCEPDDZFD-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H15N3/c1-14-6-8-15(9-7-14)10-11-18-20-16-4-2-3-5-17(16)21(18)13-12-19/h2-11H,13H2,1H3/b11-10+.
What are the key properties of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile?
2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile has a molecular weight of 273.34 g/mol, XLogP of 4.04, 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-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82144945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).