4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol

C13H22N2O — CID 165491765

IUPAC4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol
SMILESCC(C)c1nccn1C1CC(O)CCC1C
InChIInChI=1S/C13H22N2O/c1-9(2)13-14-6-7-15(13)12-8-11(16)5-4-10(12)3/h6-7,9-12,16H,4-5,8H2,1-3H3
InChIKeyWYKCLMQYIDRJBD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.73
Rot. Bonds2

About 4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol

4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol (PubChem CID 165491765) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol
PubChem CID165491765
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol
SMILESCC(C)c1nccn1C1CC(O)CCC1C
InChIInChI=1S/C13H22N2O/c1-9(2)13-14-6-7-15(13)12-8-11(16)5-4-10(12)3/h6-7,9-12,16H,4-5,8H2,1-3H3
InChIKeyWYKCLMQYIDRJBD-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol (CID 165491765) is 4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol is CC(C)c1nccn1C1CC(O)CCC1C.
What is the InChIKey of 4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol?
The InChIKey is WYKCLMQYIDRJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)13-14-6-7-15(13)12-8-11(16)5-4-10(12)3/h6-7,9-12,16H,4-5,8H2,1-3H3.
What are the key properties of 4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol?
4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 165491765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).