3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol

C16H21ClN2O — CID 10613637

IUPAC3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol
SMILESCC(C)C(O)(CCn1ccnc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O/c1-13(2)16(20,7-9-19-10-8-18-12-19)11-14-3-5-15(17)6-4-14/h3-6,8,10,12-13,20H,7,9,11H2,1-2H3
InChIKeySTVSFEBDQUSEBQ-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.56
Rot. Bonds6

About 3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol

3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol (PubChem CID 10613637) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol
PubChem CID10613637
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol
SMILESCC(C)C(O)(CCn1ccnc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O/c1-13(2)16(20,7-9-19-10-8-18-12-19)11-14-3-5-15(17)6-4-14/h3-6,8,10,12-13,20H,7,9,11H2,1-2H3
InChIKeySTVSFEBDQUSEBQ-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol
CID 22762962
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
CID 57069299
1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol
CID 70530603
1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole
CID 22762943
2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride
CID 70462522
1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
CID 70550149
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
1-[2,2-bis[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole;hydrochloride
CID 13320313

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol (CID 10613637) is 3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol is CC(C)C(O)(CCn1ccnc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol?
The InChIKey is STVSFEBDQUSEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-13(2)16(20,7-9-19-10-8-18-12-19)11-14-3-5-15(17)6-4-14/h3-6,8,10,12-13,20H,7,9,11H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol?
3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol has a molecular weight of 292.81 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol is sourced from PubChem (CID 10613637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).