3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C14H24N2O — CID 165497607

IUPAC3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1n1ccnc1
InChIInChI=1S/C14H24N2O/c1-4-14(2,3)12-6-5-11(17)9-13(12)16-8-7-15-10-16/h7-8,10-13,17H,4-6,9H2,1-3H3
InChIKeyPDPCYWCYKFZJHI-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.02
Rot. Bonds3

About 3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol

3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 165497607) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID165497607
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1n1ccnc1
InChIInChI=1S/C14H24N2O/c1-4-14(2,3)12-6-5-11(17)9-13(12)16-8-7-15-10-16/h7-8,10-13,17H,4-6,9H2,1-3H3
InChIKeyPDPCYWCYKFZJHI-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol
CID 165497609
4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol
CID 165491573
2,6-di(imidazol-1-yl)cyclohexan-1-ol
CID 91619575
(1R)-2-imidazol-1-ylcyclopentan-1-ol
CID 126638483
3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497496
6-imidazol-1-yl-2,2-dimethylcyclohexan-1-ol
CID 79847286
3-imidazol-1-ylcyclobutan-1-ol
CID 131068227
2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol
CID 81413072
4-tert-butyl-3-(2-propylimidazol-1-yl)cyclohexan-1-ol
CID 165491999
2-imidazol-1-yl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43734339
1-(4-ethylcyclohexyl)imidazole
CID 64776117
(3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine
CID 124887881

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 165497607) is 3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)CC1n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is PDPCYWCYKFZJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-14(2,3)12-6-5-11(17)9-13(12)16-8-7-15-10-16/h7-8,10-13,17H,4-6,9H2,1-3H3.
What are the key properties of 3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 165497607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).