1-(3-cyclopropylbenzimidazol-5-yl)ethanone

C12H12N2O — CID 83880677

IUPAC1-(3-cyclopropylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2ncn(C3CC3)c2c1
InChIInChI=1S/C12H12N2O/c1-8(15)9-2-5-11-12(6-9)14(7-13-11)10-3-4-10/h2,5-7,10H,3-4H2,1H3
InChIKeyUPQPMMNIOWVTKD-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.57
Rot. Bonds2

About 1-(3-cyclopropylbenzimidazol-5-yl)ethanone

1-(3-cyclopropylbenzimidazol-5-yl)ethanone (PubChem CID 83880677) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(3-cyclopropylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropylbenzimidazol-5-yl)ethanone
PubChem CID83880677
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(3-cyclopropylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2ncn(C3CC3)c2c1
InChIInChI=1S/C12H12N2O/c1-8(15)9-2-5-11-12(6-9)14(7-13-11)10-3-4-10/h2,5-7,10H,3-4H2,1H3
InChIKeyUPQPMMNIOWVTKD-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(3-cyclopropylbenzimidazol-5-yl)ethanone (CID 83880677) is 1-(3-cyclopropylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-cyclopropylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(3-cyclopropylbenzimidazol-5-yl)ethanone is CC(=O)c1ccc2ncn(C3CC3)c2c1.
What is the InChIKey of 1-(3-cyclopropylbenzimidazol-5-yl)ethanone?
The InChIKey is UPQPMMNIOWVTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8(15)9-2-5-11-12(6-9)14(7-13-11)10-3-4-10/h2,5-7,10H,3-4H2,1H3.
What are the key properties of 1-(3-cyclopropylbenzimidazol-5-yl)ethanone?
1-(3-cyclopropylbenzimidazol-5-yl)ethanone has a molecular weight of 200.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 83880677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).