3-(1H-benzimidazol-2-yl)cyclohexan-1-one

C13H14N2O — CID 142693354

IUPAC3-(1H-benzimidazol-2-yl)cyclohexan-1-one
SMILESO=C1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H14N2O/c16-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)15-13/h1-2,6-7,9H,3-5,8H2,(H,14,15)
InChIKeyLGQFQPDCTUKCMF-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.79
Rot. Bonds1

About 3-(1H-benzimidazol-2-yl)cyclohexan-1-one

3-(1H-benzimidazol-2-yl)cyclohexan-1-one (PubChem CID 142693354) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)cyclohexan-1-one
PubChem CID142693354
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(1H-benzimidazol-2-yl)cyclohexan-1-one
SMILESO=C1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H14N2O/c16-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)15-13/h1-2,6-7,9H,3-5,8H2,(H,14,15)
InChIKeyLGQFQPDCTUKCMF-UHFFFAOYSA-N
XLogP2.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)cyclohexan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)cyclohexan-1-one (CID 142693354) is 3-(1H-benzimidazol-2-yl)cyclohexan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)cyclohexan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)cyclohexan-1-one is O=C1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)cyclohexan-1-one?
The InChIKey is LGQFQPDCTUKCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)15-13/h1-2,6-7,9H,3-5,8H2,(H,14,15).
What are the key properties of 3-(1H-benzimidazol-2-yl)cyclohexan-1-one?
3-(1H-benzimidazol-2-yl)cyclohexan-1-one has a molecular weight of 214.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)cyclohexan-1-one is sourced from PubChem (CID 142693354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).