3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one

C13H16N2O2 — CID 70115038

IUPAC3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCC(O)CC1
InChIInChI=1S/C13H16N2O2/c16-10-7-5-9(6-8-10)15-12-4-2-1-3-11(12)14-13(15)17/h1-4,9-10,16H,5-8H2,(H,14,17)
InChIKeyNCBDSWPVAZPGDQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.81
Rot. Bonds1

About 3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one

3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one (PubChem CID 70115038) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
PubChem CID70115038
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCC(O)CC1
InChIInChI=1S/C13H16N2O2/c16-10-7-5-9(6-8-10)15-12-4-2-1-3-11(12)14-13(15)17/h1-4,9-10,16H,5-8H2,(H,14,17)
InChIKeyNCBDSWPVAZPGDQ-UHFFFAOYSA-N
XLogP1.81
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 104966720
5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 142429531
3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one (CID 70115038) is 3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one?
The InChIKey is NCBDSWPVAZPGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-10-7-5-9(6-8-10)15-12-4-2-1-3-11(12)14-13(15)17/h1-4,9-10,16H,5-8H2,(H,14,17).
What are the key properties of 3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one?
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 70115038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).