1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol

C16H28N2O — CID 13289772

IUPAC1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)C(CC1CCCCC1)n1ccnc1
InChIInChI=1S/C16H28N2O/c1-16(2,3)15(19)14(18-10-9-17-12-18)11-13-7-5-4-6-8-13/h9-10,12-15,19H,4-8,11H2,1-3H3
InChIKeyZHNPDUKPESVIIH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.80
Rot. Bonds4

About 1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol

1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol (PubChem CID 13289772) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol
PubChem CID13289772
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)C(CC1CCCCC1)n1ccnc1
InChIInChI=1S/C16H28N2O/c1-16(2,3)15(19)14(18-10-9-17-12-18)11-13-7-5-4-6-8-13/h9-10,12-15,19H,4-8,11H2,1-3H3
InChIKeyZHNPDUKPESVIIH-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol (CID 13289772) is 1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol is CC(C)(C)C(O)C(CC1CCCCC1)n1ccnc1.
What is the InChIKey of 1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol?
The InChIKey is ZHNPDUKPESVIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,3)15(19)14(18-10-9-17-12-18)11-13-7-5-4-6-8-13/h9-10,12-15,19H,4-8,11H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol?
1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol has a molecular weight of 264.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 13289772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).