3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol

C10H16N2O — CID 57156183

IUPAC3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C10H16N2O/c1-10(13)4-2-3-8(7-10)9-11-5-6-12-9/h5-6,8,13H,2-4,7H2,1H3,(H,11,12)
InChIKeyJIACNLUPJBCVKA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.82
Rot. Bonds1

About 3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol

3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol (PubChem CID 57156183) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol
PubChem CID57156183
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C10H16N2O/c1-10(13)4-2-3-8(7-10)9-11-5-6-12-9/h5-6,8,13H,2-4,7H2,1H3,(H,11,12)
InChIKeyJIACNLUPJBCVKA-UHFFFAOYSA-N
XLogP1.82
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-8-[3-(2-ethylimidazol-1-yl)propylamino]-2,6-dimethyloctan-2-ol
CID 92861407
(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 164635126
Imidazolylmethyl spiro[4.5]decanol
CID 129815755
1-[[[1-(Difluoromethyl)imidazol-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 64686538
1-[(1-Methylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79744152
1-[(1-Ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79744244
1-[(1-Propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79744329
1-[2-(1-Methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 114529160
Cyclobutanol, 1-(1H-imidazol-2-yl)-2-tetradecyl-
CID 573716
7-(1H-Imidazol-2-yl)bicyclo[4.2.0]octan-7-ol
CID 12463022
3-cyclohexyl-1-(1H-imidazol-2-yl)propan-1-ol
CID 17913114
4-(1H-imidazol-2-yl)cyclohexan-1-ol
CID 18695351

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol?
The IUPAC name of 3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol (CID 57156183) is 3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol?
The canonical SMILES for 3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol is CC1(O)CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol?
The InChIKey is JIACNLUPJBCVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(13)4-2-3-8(7-10)9-11-5-6-12-9/h5-6,8,13H,2-4,7H2,1H3,(H,11,12).
What are the key properties of 3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol?
3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 57156183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).