1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone

C12H11BrN2O — CID 83845307

IUPAC1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)nc(Br)n2C1CC1
InChIInChI=1S/C12H11BrN2O/c1-7(16)8-2-5-11-10(6-8)14-12(13)15(11)9-3-4-9/h2,5-6,9H,3-4H2,1H3
InChIKeyZZRFSTXGBYXJCM-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.34
Rot. Bonds2

About 1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone

1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone (PubChem CID 83845307) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone
PubChem CID83845307
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)nc(Br)n2C1CC1
InChIInChI=1S/C12H11BrN2O/c1-7(16)8-2-5-11-10(6-8)14-12(13)15(11)9-3-4-9/h2,5-6,9H,3-4H2,1H3
InChIKeyZZRFSTXGBYXJCM-UHFFFAOYSA-N
XLogP3.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
CID 83886321
1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
CID 82492875
2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842368
2-bromo-1-cyclobutyl-5-methoxybenzimidazole
CID 84812045
1-cyclopropyl-2-(2,2-dimethylpropyl)benzimidazole-5-carboxylic acid
CID 82488600
2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 43322927
2-amino-1-(4-hydroxycyclohexyl)benzimidazole-5-carboxylic acid
CID 123935136
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one
CID 96677057
methyl 2-(6-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-cyclopropylbenzimidazole-5-carboxylate
CID 164554131
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone
CID 83834351
1-(3-cyclopropylbenzotriazol-5-yl)ethanone
CID 83880884

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone (CID 83845307) is 1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone is CC(=O)c1ccc2c(c1)nc(Br)n2C1CC1.
What is the InChIKey of 1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone?
The InChIKey is ZZRFSTXGBYXJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-7(16)8-2-5-11-10(6-8)14-12(13)15(11)9-3-4-9/h2,5-6,9H,3-4H2,1H3.
What are the key properties of 1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone?
1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone has a molecular weight of 279.14 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 83845307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).