1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone

C12H12N2O2 — CID 83858201

IUPAC1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(O)cc2n1C1CC1
InChIInChI=1S/C12H12N2O2/c1-7(15)12-13-10-5-4-9(16)6-11(10)14(12)8-2-3-8/h4-6,8,16H,2-3H2,1H3
InChIKeyNRLAJBWHVBOCLX-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.28
Rot. Bonds2

About 1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone

1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone (PubChem CID 83858201) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone
PubChem CID83858201
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(O)cc2n1C1CC1
InChIInChI=1S/C12H12N2O2/c1-7(15)12-13-10-5-4-9(16)6-11(10)14(12)8-2-3-8/h4-6,8,16H,2-3H2,1H3
InChIKeyNRLAJBWHVBOCLX-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid
CID 83858260
1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
CID 83886321
sodium 1-cyclopropylbenzimidazole-2-carboxylate
CID 131637596
3-cyclopentyl-2-hydrazinylbenzimidazol-5-ol
CID 115059646
1-[1-(oxan-2-yl)benzimidazol-2-yl]ethanone
CID 22478048
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903801
1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone
CID 71628854
2-chloro-1-cyclopropylbenzimidazol-5-ol
CID 83834342
benzyl (3S)-3-(2-acetylbenzimidazol-1-yl)piperidine-1-carboxylate
CID 97170796
2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842367
2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 84785186
3-cyclopropyl-2-[5-(methylideneamino)penta-2,4-dien-2-yl]benzimidazole-5-carbonitrile
CID 123490148

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone (CID 83858201) is 1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone is CC(=O)c1nc2ccc(O)cc2n1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone?
The InChIKey is NRLAJBWHVBOCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7(15)12-13-10-5-4-9(16)6-11(10)14(12)8-2-3-8/h4-6,8,16H,2-3H2,1H3.
What are the key properties of 1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone?
1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone is sourced from PubChem (CID 83858201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).