2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone

C17H16N2O — CID 39917000

IUPAC2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)17(20)11-19-13(2)18-15-5-3-4-6-16(15)19/h3-10H,11H2,1-2H3
InChIKeyCUYZMOGARLOTFR-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.54
Rot. Bonds3

About 2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone

2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone (PubChem CID 39917000) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
PubChem CID39917000
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)17(20)11-19-13(2)18-15-5-3-4-6-16(15)19/h3-10H,11H2,1-2H3
InChIKeyCUYZMOGARLOTFR-UHFFFAOYSA-N
XLogP3.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone 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-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 84571531
(E)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one
CID 6260079
2-indolo[3,2-b]quinoxalin-6-yl-1-(4-methylphenyl)ethanone
CID 43853120
4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221139
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
(E)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 5471214
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 95921163
(E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one
CID 6478363
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
2-(1-butylbenzimidazol-2-yl)sulfanyl-1-(4-methylphenyl)ethanone;hydrobromide
CID 163332838

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone (CID 39917000) is 2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)Cn2c(C)nc3ccccc32)cc1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone?
The InChIKey is CUYZMOGARLOTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)17(20)11-19-13(2)18-15-5-3-4-6-16(15)19/h3-10H,11H2,1-2H3.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone?
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone has a molecular weight of 264.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 39917000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).