2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride

C15H20Cl2N2O — CID 70462522

IUPAC2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride
SMILESCCC(C)C(O)(Cn1ccnc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H19ClN2O.ClH/c1-3-12(2)15(19,10-18-9-8-17-11-18)13-4-6-14(16)7-5-13;/h4-9,11-12,19H,3,10H2,1-2H3;1H
InChIKeyPVCVFGVRFHFIGO-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.89
Rot. Bonds5

About 2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride

2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride (PubChem CID 70462522) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride
PubChem CID70462522
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride
SMILESCCC(C)C(O)(Cn1ccnc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H19ClN2O.ClH/c1-3-12(2)15(19,10-18-9-8-17-11-18)13-4-6-14(16)7-5-13;/h4-9,11-12,19H,3,10H2,1-2H3;1H
InChIKeyPVCVFGVRFHFIGO-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458
3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol
CID 22762962
1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole
CID 70502718
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol
CID 10613637
2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol
CID 67650371
(E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol
CID 92754324
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride (CID 70462522) is 2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride is CCC(C)C(O)(Cn1ccnc1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride?
The InChIKey is PVCVFGVRFHFIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O.ClH/c1-3-12(2)15(19,10-18-9-8-17-11-18)13-4-6-14(16)7-5-13;/h4-9,11-12,19H,3,10H2,1-2H3;1H.
What are the key properties of 2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride?
2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride has a molecular weight of 315.24 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride is sourced from PubChem (CID 70462522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).