trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol

C14H17N3O — CID 133264534

IUPACtrans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1n1ccnc1-c1cccnc1
InChIInChI=1S/C14H17N3O/c18-13-6-2-1-5-12(13)17-9-8-16-14(17)11-4-3-7-15-10-11/h3-4,7-10,12-13,18H,1-2,5-6H2/t12-,13-/m1/s1
InChIKeyUYNWCLHQHVODTM-CHWSQXEVSA-N
MW243.31 g/mol
LogP2.42
Rot. Bonds2

About trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol (PubChem CID 133264534) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol
PubChem CID133264534
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Nametrans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1n1ccnc1-c1cccnc1
InChIInChI=1S/C14H17N3O/c18-13-6-2-1-5-12(13)17-9-8-16-14(17)11-4-3-7-15-10-11/h3-4,7-10,12-13,18H,1-2,5-6H2/t12-,13-/m1/s1
InChIKeyUYNWCLHQHVODTM-CHWSQXEVSA-N
XLogP2.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol
CID 154818382
(1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol
CID 126846257
2-(2-phenylimidazol-1-yl)cycloheptan-1-amine
CID 61070661
[2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine
CID 61070468
trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 156585247
1-[(1S,2S)-2-hydroxycyclohexyl]-4-[2-[(4-pyridin-3-ylphenyl)methoxy]phenyl]pyridin-2-one
CID 127026701
(3aS,5S,6S,7aR)-2-cyclobutyl-6-(2-phenylimidazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 171155950
cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
CID 97185427
3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117148798
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
CID 9408204
1-(2-chlorophenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrrolidin-2-one
CID 70716243

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol (CID 133264534) is trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1n1ccnc1-c1cccnc1.
What is the InChIKey of trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol?
The InChIKey is UYNWCLHQHVODTM-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H17N3O/c18-13-6-2-1-5-12(13)17-9-8-16-14(17)11-4-3-7-15-10-11/h3-4,7-10,12-13,18H,1-2,5-6H2/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 133264534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).