1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone

C16H14N2O — CID 3494565

IUPAC1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1
InChIInChI=1S/C16H14N2O/c1-11(19)13-8-9-16-15(10-13)17-12(2)18(16)14-6-4-3-5-7-14/h3-10H,1-2H3
InChIKeyGPZLRJQDHGFKGC-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.54
Rot. Bonds2

About 1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone

1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone (PubChem CID 3494565) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
PubChem CID3494565
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1
InChIInChI=1S/C16H14N2O/c1-11(19)13-8-9-16-15(10-13)17-12(2)18(16)14-6-4-3-5-7-14/h3-10H,1-2H3
InChIKeyGPZLRJQDHGFKGC-UHFFFAOYSA-N
XLogP3.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 37067853
2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940
phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043609
N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
CID 55333924
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 25467592
1-[4-(2-methyl-5-nitrobenzimidazol-1-yl)phenyl]ethanone
CID 71318567
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94186960
1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one
CID 2999009
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4800585

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone (CID 3494565) is 1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone is CC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1.
What is the InChIKey of 1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone?
The InChIKey is GPZLRJQDHGFKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11(19)13-8-9-16-15(10-13)17-12(2)18(16)14-6-4-3-5-7-14/h3-10H,1-2H3.
What are the key properties of 1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone?
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone has a molecular weight of 250.30 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 3494565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).