(1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol

C10H16N2O — CID 126846257

IUPAC(1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol
SMILESCc1nccn1C1CCCC[C@@H]1O
InChIInChI=1S/C10H16N2O/c1-8-11-6-7-12(8)9-4-2-3-5-10(9)13/h6-7,9-10,13H,2-5H2,1H3/t9?,10-/m0/s1
InChIKeyIUMNJFILAPMKAM-AXDSSHIGSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds1

About (1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol

(1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol (PubChem CID 126846257) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol
PubChem CID126846257
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol
SMILESCc1nccn1C1CCCC[C@@H]1O
InChIInChI=1S/C10H16N2O/c1-8-11-6-7-12(8)9-4-2-3-5-10(9)13/h6-7,9-10,13H,2-5H2,1H3/t9?,10-/m0/s1
InChIKeyIUMNJFILAPMKAM-AXDSSHIGSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,5R)-2-amino-5-(2-methylimidazol-1-yl)cyclopentan-1-ol
CID 175662595
(3aS,5S,6S,7aR)-2-cyclohexyl-6-(2-methylimidazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 171155861
cis-(1S,2R)-2-(2-propan-2-ylimidazol-1-yl)cyclopentan-1-ol
CID 129365655
[2-(2-methylimidazol-1-yl)cyclopropyl]methanol
CID 130710634
trans-(1S,2S)-2-(2-propylimidazol-1-yl)cyclopentan-1-ol
CID 102735175
trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 133264534
(1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol
CID 146559384
trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol
CID 102735138
trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 156585247
[3-(2-methylimidazol-1-yl)cyclohexyl]methanol
CID 174383256
N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine
CID 81004641
4-(2-methylimidazol-1-yl)piperidine;dihydrochloride
CID 131883405

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of (1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol (CID 126846257) is (1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for (1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for (1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol is Cc1nccn1C1CCCC[C@@H]1O.
What is the InChIKey of (1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol?
The InChIKey is IUMNJFILAPMKAM-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-11-6-7-12(8)9-4-2-3-5-10(9)13/h6-7,9-10,13H,2-5H2,1H3/t9?,10-/m0/s1.
What are the key properties of (1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol?
(1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 126846257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).