2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile

C17H15N3O — CID 104720782

IUPAC2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile
SMILESCOc1ccccc1Cc1nc2c(C#N)cccc2n1C
InChIInChI=1S/C17H15N3O/c1-20-14-8-5-7-13(11-18)17(14)19-16(20)10-12-6-3-4-9-15(12)21-2/h3-9H,10H2,1-2H3
InChIKeyIGRDALMZNYAPTE-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.04
Rot. Bonds3

About 2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile

2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile (PubChem CID 104720782) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile
PubChem CID104720782
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile
SMILESCOc1ccccc1Cc1nc2c(C#N)cccc2n1C
InChIInChI=1S/C17H15N3O/c1-20-14-8-5-7-13(11-18)17(14)19-16(20)10-12-6-3-4-9-15(12)21-2/h3-9H,10H2,1-2H3
InChIKeyIGRDALMZNYAPTE-UHFFFAOYSA-N
XLogP3.04
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720876
2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
CID 104718630
2-(2,2-dimethylpropyl)-1-methylbenzimidazole-4-carbonitrile
CID 113445193
2-(4-bromo-2-methoxyphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720772
2-(4-fluoro-3-methoxyphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720761
2-(chloromethyl)-1-(2-methoxyethyl)benzimidazole-4-carbonitrile
CID 104719238
1-methyl-2-pentan-3-ylbenzimidazole-4-carbonitrile
CID 104720828
2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile
CID 107114339
2-(2-chloroethyl)-1-(3-methoxypropyl)benzimidazole-4-carbonitrile
CID 104719349
2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
CID 104719063
2-ethyl-3-methoxybenzonitrile
CID 91882343
2-(chloromethyl)-1-(2-methoxypropyl)benzimidazole-4-carbonitrile
CID 102699503

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile (CID 104720782) is 2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile is COc1ccccc1Cc1nc2c(C#N)cccc2n1C.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile?
The InChIKey is IGRDALMZNYAPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-20-14-8-5-7-13(11-18)17(14)19-16(20)10-12-6-3-4-9-15(12)21-2/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile?
2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 104720782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).