1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride

C17H23ClN2O — CID 3059786

IUPAC1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride
SMILESCl.OC(Cn1ccnc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O.ClH/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h6-11,13-14,17,20H,1-5,12H2;1H
InChIKeySBVYINDKNJZCJY-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride

1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride (PubChem CID 3059786) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride
PubChem CID3059786
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride
SMILESCl.OC(Cn1ccnc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O.ClH/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h6-11,13-14,17,20H,1-5,12H2;1H
InChIKeySBVYINDKNJZCJY-UHFFFAOYSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride (CID 3059786) is 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride is Cl.OC(Cn1ccnc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
The InChIKey is SBVYINDKNJZCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h6-11,13-14,17,20H,1-5,12H2;1H.
What are the key properties of 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol;hydrochloride is sourced from PubChem (CID 3059786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).