1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone

C11H11ClN2O — CID 83890942

IUPAC1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1cc2nc(C)n(C)c2cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-6(15)8-4-10-11(5-9(8)12)14(3)7(2)13-10/h4-5H,1-3H3
InChIKeyLWZCRGKQKWMJRB-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.74
Rot. Bonds1

About 1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone

1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone (PubChem CID 83890942) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone
PubChem CID83890942
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1cc2nc(C)n(C)c2cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-6(15)8-4-10-11(5-9(8)12)14(3)7(2)13-10/h4-5H,1-3H3
InChIKeyLWZCRGKQKWMJRB-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone
CID 83902590
6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole
CID 21329570
6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde
CID 83884178
6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid
CID 112757004
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile
CID 171820077
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
ethane;2,3,6-trimethylbenzimidazol-5-ol
CID 168977189
(1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate
CID 23091994
1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone
CID 83834351
1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone
CID 110760390

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone (CID 83890942) is 1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone is CC(=O)c1cc2nc(C)n(C)c2cc1Cl.
What is the InChIKey of 1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone?
The InChIKey is LWZCRGKQKWMJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-6(15)8-4-10-11(5-9(8)12)14(3)7(2)13-10/h4-5H,1-3H3.
What are the key properties of 1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone?
1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone has a molecular weight of 222.67 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 83890942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).