1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol

C11H18N2O — CID 174778885

IUPAC1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(c2cnc[nH]2)CC1
InChIInChI=1S/C11H18N2O/c1-10(2)3-5-11(14,6-4-10)9-7-12-8-13-9/h7-8,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyHJDYMJAQGUNVEH-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.20
Rot. Bonds1

About 1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol

1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 174778885) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol
PubChem CID174778885
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(c2cnc[nH]2)CC1
InChIInChI=1S/C11H18N2O/c1-10(2)3-5-11(14,6-4-10)9-7-12-8-13-9/h7-8,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyHJDYMJAQGUNVEH-UHFFFAOYSA-N
XLogP2.20
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol (CID 174778885) is 1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is HJDYMJAQGUNVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(2)3-5-11(14,6-4-10)9-7-12-8-13-9/h7-8,14H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol?
1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 174778885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).