1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone

C15H18N2O2 — CID 76849353

IUPAC1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(OC3CCCCC3)cc2[nH]1
InChIInChI=1S/C15H18N2O2/c1-10(18)15-16-13-8-7-12(9-14(13)17-15)19-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyDIXGVROKSOUNON-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.48
Rot. Bonds3

About 1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone

1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone (PubChem CID 76849353) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone
PubChem CID76849353
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(OC3CCCCC3)cc2[nH]1
InChIInChI=1S/C15H18N2O2/c1-10(18)15-16-13-8-7-12(9-14(13)17-15)19-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyDIXGVROKSOUNON-UHFFFAOYSA-N
XLogP3.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-amino-1H-benzimidazol-2-yl)ethanone
CID 83428502
2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole
CID 138664980
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
1-(2-amino-5-cyclohexyloxyphenyl)ethanone
CID 113433081
6-cyclohexyloxyquinoline-3-carboxamide
CID 125492658
3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one
CID 123992272
1-(7-cyclononyloxycyclodeca-1,3,5,7,9-pentaen-1-yl)ethanone
CID 91060627
7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde
CID 143687945
1-(5-cyclohexyloxy-2-nitrophenyl)ethanone
CID 104613740
6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
CID 84671564
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine
CID 138649696

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone?
The IUPAC name of 1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone (CID 76849353) is 1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone is CC(=O)c1nc2ccc(OC3CCCCC3)cc2[nH]1.
What is the InChIKey of 1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone?
The InChIKey is DIXGVROKSOUNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(18)15-16-13-8-7-12(9-14(13)17-15)19-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone?
1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone is sourced from PubChem (CID 76849353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).