1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone

C10H8ClFN2O — CID 178090088

IUPAC1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2cc(Cl)cc(F)c2n1C
InChIInChI=1S/C10H8ClFN2O/c1-5(15)10-13-8-4-6(11)3-7(12)9(8)14(10)2/h3-4H,1-2H3
InChIKeyQXASJNGOWUMXTF-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.57
Rot. Bonds1

About 1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone

1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone (PubChem CID 178090088) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone
PubChem CID178090088
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2cc(Cl)cc(F)c2n1C
InChIInChI=1S/C10H8ClFN2O/c1-5(15)10-13-8-4-6(11)3-7(12)9(8)14(10)2/h3-4H,1-2H3
InChIKeyQXASJNGOWUMXTF-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone
CID 84621348
1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929
5-chloro-7-fluoro-1-methylindole-2-carbaldehyde
CID 105465519
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
2-acetyl-3-methylbenzimidazole-5-carboxylic acid
CID 84622776
6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one
CID 137458512
2-acetyl-3,7-dimethylquinazolin-4-one
CID 84784682
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid
CID 84624653
7-chloro-1,2-dimethylbenzimidazole-5,6-diol
CID 90127246
5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole
CID 66969095
N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide
CID 1055784

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone (CID 178090088) is 1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone is CC(=O)c1nc2cc(Cl)cc(F)c2n1C.
What is the InChIKey of 1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone?
The InChIKey is QXASJNGOWUMXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-5(15)10-13-8-4-6(11)3-7(12)9(8)14(10)2/h3-4H,1-2H3.
What are the key properties of 1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone?
1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone has a molecular weight of 226.64 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 178090088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).