2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol

C19H19ClN2O — CID 14076108

IUPAC2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)(Cn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-18-8-6-17(7-9-18)19(23,14-22-13-12-21-15-22)11-10-16-4-2-1-3-5-16/h1-9,12-13,15,23H,10-11,14H2
InChIKeyQPQBJGHSEGQYSS-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.06
Rot. Bonds6

About 2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol

2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol (PubChem CID 14076108) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
PubChem CID14076108
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)(Cn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-18-8-6-17(7-9-18)19(23,14-22-13-12-21-15-22)11-10-16-4-2-1-3-5-16/h1-9,12-13,15,23H,10-11,14H2
InChIKeyQPQBJGHSEGQYSS-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol
CID 22762962
1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 3068301
6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 19854594
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
CID 70550149
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
CID 22762829
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 20519440
2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640
1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22763018

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol (CID 14076108) is 2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol is OC(CCc1ccccc1)(Cn1ccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol?
The InChIKey is QPQBJGHSEGQYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-18-8-6-17(7-9-18)19(23,14-22-13-12-21-15-22)11-10-16-4-2-1-3-5-16/h1-9,12-13,15,23H,10-11,14H2.
What are the key properties of 2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol?
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol has a molecular weight of 326.83 g/mol, XLogP of 4.06, 6 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-4-phenylbutan-2-ol is sourced from PubChem (CID 14076108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).