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

C17H30N2O — CID 165491573

IUPAC4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol
SMILESCCCc1nccn1C1CC(O)CCC1C(C)(C)CC
InChIInChI=1S/C17H30N2O/c1-5-7-16-18-10-11-19(16)15-12-13(20)8-9-14(15)17(3,4)6-2/h10-11,13-15,20H,5-9,12H2,1-4H3
InChIKeyQMFVBMFPGTXTDZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.97
Rot. Bonds5

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

4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol (PubChem CID 165491573) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol
PubChem CID165491573
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol
SMILESCCCc1nccn1C1CC(O)CCC1C(C)(C)CC
InChIInChI=1S/C17H30N2O/c1-5-7-16-18-10-11-19(16)15-12-13(20)8-9-14(15)17(3,4)6-2/h10-11,13-15,20H,5-9,12H2,1-4H3
InChIKeyQMFVBMFPGTXTDZ-UHFFFAOYSA-N
XLogP3.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-3-(2-propylimidazol-1-yl)cyclohexan-1-ol
CID 165491999
trans-(1S,2S)-2-(2-propylimidazol-1-yl)cyclopentan-1-ol
CID 102735175
2,2-dimethyl-6-(2-propylimidazol-1-yl)cyclohexan-1-ol
CID 79847201
3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497607
4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol
CID 165497609
N-ethyl-3-(2-propylimidazol-1-yl)cyclohexan-1-amine
CID 79619406
4-(2-methylbutan-2-yl)-2-(2-methylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 63073387
2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 79762058
3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497496
1-cyclopropyl-2-(2,2-dimethylpropyl)imidazole
CID 138748973
4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol
CID 165491765
[1-(methylamino)-3-(2-propylimidazol-1-yl)cyclopentyl]methanol
CID 79644477

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol (CID 165491573) is 4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol is CCCc1nccn1C1CC(O)CCC1C(C)(C)CC.
What is the InChIKey of 4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol?
The InChIKey is QMFVBMFPGTXTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-7-16-18-10-11-19(16)15-12-13(20)8-9-14(15)17(3,4)6-2/h10-11,13-15,20H,5-9,12H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol?
4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 165491573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).