4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide

C17H17N3O — CID 167679804

IUPAC4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide
SMILESCc1cccc2c1ncn2C(=O)NCCc1ccccc1
InChIInChI=1S/C17H17N3O/c1-13-6-5-9-15-16(13)19-12-20(15)17(21)18-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,21)
InChIKeyVIYQVCUCRWGLJY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.15
Rot. Bonds3

About 4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide

4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide (PubChem CID 167679804) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide
PubChem CID167679804
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide
SMILESCc1cccc2c1ncn2C(=O)NCCc1ccccc1
InChIInChI=1S/C17H17N3O/c1-13-6-5-9-15-16(13)19-12-20(15)17(21)18-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,21)
InChIKeyVIYQVCUCRWGLJY-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 156708014
5-methyl-N-(2-phenylethyl)imidazo[4,5-b]pyridine-1-carboxamide
CID 167680894
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 166046436
4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 156708196
4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 156708073
2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 156708117
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
2-phenylethylcarbamothioic S-acid
CID 11116669
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide
CID 175765380
5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
CID 42692615
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide?
The IUPAC name of 4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide (CID 167679804) is 4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide is Cc1cccc2c1ncn2C(=O)NCCc1ccccc1.
What is the InChIKey of 4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide?
The InChIKey is VIYQVCUCRWGLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-6-5-9-15-16(13)19-12-20(15)17(21)18-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,21).
What are the key properties of 4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide?
4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide is sourced from PubChem (CID 167679804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).