1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol

C20H22N2OS — CID 20573712

IUPAC1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol
SMILESCC(c1ccc(Sc2ccccc2)cc1)C(C)(O)Cn1ccnc1
InChIInChI=1S/C20H22N2OS/c1-16(20(2,23)14-22-13-12-21-15-22)17-8-10-19(11-9-17)24-18-6-4-3-5-7-18/h3-13,15-16,23H,14H2,1-2H3
InChIKeySOIBYGRNTSYBRJ-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.59
Rot. Bonds6

About 1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol

1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol (PubChem CID 20573712) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol
PubChem CID20573712
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol
SMILESCC(c1ccc(Sc2ccccc2)cc1)C(C)(O)Cn1ccnc1
InChIInChI=1S/C20H22N2OS/c1-16(20(2,23)14-22-13-12-21-15-22)17-8-10-19(11-9-17)24-18-6-4-3-5-7-18/h3-13,15-16,23H,14H2,1-2H3
InChIKeySOIBYGRNTSYBRJ-UHFFFAOYSA-N
XLogP4.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol
CID 20573264
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol
CID 20572805
2-(imidazol-1-ylmethyl)-2-(4-phenylsulfanylphenyl)hexanenitrile
CID 54019723
2-imidazol-1-yl-1-(4-methylphenyl)-1-phenylethanol
CID 15085528
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
(2R)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-2-ylpentan-2-ol
CID 27876382
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol?
The IUPAC name of 1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol (CID 20573712) is 1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol is CC(c1ccc(Sc2ccccc2)cc1)C(C)(O)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol?
The InChIKey is SOIBYGRNTSYBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-16(20(2,23)14-22-13-12-21-15-22)17-8-10-19(11-9-17)24-18-6-4-3-5-7-18/h3-13,15-16,23H,14H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol?
1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol has a molecular weight of 338.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol is sourced from PubChem (CID 20573712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).