1-(1-methylbenzimidazol-5-yl)ethanone

C10H10N2O — CID 39103959

IUPAC1-(1-methylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C10H10N2O/c1-7(13)8-3-4-10-9(5-8)11-6-12(10)2/h3-6H,1-2H3
InChIKeyVAIJTGGDAUZFAD-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.78
Rot. Bonds1

About 1-(1-methylbenzimidazol-5-yl)ethanone

1-(1-methylbenzimidazol-5-yl)ethanone (PubChem CID 39103959) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-5-yl)ethanone
PubChem CID39103959
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-(1-methylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C10H10N2O/c1-7(13)8-3-4-10-9(5-8)11-6-12(10)2/h3-6H,1-2H3
InChIKeyVAIJTGGDAUZFAD-UHFFFAOYSA-N
XLogP1.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
CID 83530521
2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
CID 116920419
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
1-(2-methylbenzotriazol-5-yl)ethanone
CID 84750928
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one
CID 116916623
N,1-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 95967901
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
(1-methylbenzimidazol-5-yl)urea
CID 12521213

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(1-methylbenzimidazol-5-yl)ethanone (CID 39103959) is 1-(1-methylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-methylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(1-methylbenzimidazol-5-yl)ethanone is CC(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of 1-(1-methylbenzimidazol-5-yl)ethanone?
The InChIKey is VAIJTGGDAUZFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7(13)8-3-4-10-9(5-8)11-6-12(10)2/h3-6H,1-2H3.
What are the key properties of 1-(1-methylbenzimidazol-5-yl)ethanone?
1-(1-methylbenzimidazol-5-yl)ethanone has a molecular weight of 174.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 39103959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).