1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone

C13H14N2O — CID 83886321

IUPAC1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2nc(C)n(C3CC3)c2c1
InChIInChI=1S/C13H14N2O/c1-8(16)10-3-6-12-13(7-10)15(9(2)14-12)11-4-5-11/h3,6-7,11H,4-5H2,1-2H3
InChIKeyHQLDONQQGCDKDG-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.88
Rot. Bonds2

About 1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone

1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone (PubChem CID 83886321) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
PubChem CID83886321
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2nc(C)n(C3CC3)c2c1
InChIInChI=1S/C13H14N2O/c1-8(16)10-3-6-12-13(7-10)15(9(2)14-12)11-4-5-11/h3,6-7,11H,4-5H2,1-2H3
InChIKeyHQLDONQQGCDKDG-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone (CID 83886321) is 1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone is CC(=O)c1ccc2nc(C)n(C3CC3)c2c1.
What is the InChIKey of 1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone?
The InChIKey is HQLDONQQGCDKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8(16)10-3-6-12-13(7-10)15(9(2)14-12)11-4-5-11/h3,6-7,11H,4-5H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone?
1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone has a molecular weight of 214.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 83886321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).