2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol

C17H16N2OS — CID 3057081

IUPAC2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol
SMILESOC(Cn1ccnc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C17H16N2OS/c20-17(12-19-11-10-18-13-19)14-6-8-16(9-7-14)21-15-4-2-1-3-5-15/h1-11,13,17,20H,12H2
InChIKeyXYCDDPVRWZIKSX-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.77
Rot. Bonds5

About 2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol

2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol (PubChem CID 3057081) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol
PubChem CID3057081
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol
SMILESOC(Cn1ccnc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C17H16N2OS/c20-17(12-19-11-10-18-13-19)14-6-8-16(9-7-14)21-15-4-2-1-3-5-15/h1-11,13,17,20H,12H2
InChIKeyXYCDDPVRWZIKSX-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

alpha-(4-(2-Phenylethyl)phenyl)-1H-imidazole-1-ethanol
CID 53626
2-(1H-imidazol-1-yl)-1-phenylethanol
CID 32239
Denzimol hydrochloride
CID 53625
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
(1-benzyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2870369
Imidazole-1-ethanol, alpha-(4-cyclohexylphenyl)-, monohydrochloride
CID 3059786
1H-Imidazole-1-ethanol, alpha-1-naphthalenyl-
CID 3054233
1-(Biphenyl-3-yl)-2-(1h-imidazol-1-yl)ethanol
CID 52776
Denzimol, (S)-
CID 76965185
1-(3,3-Diphenyl-3-hydroxypropyl)-1H-imidazole
CID 24895248
1-Imidazoleethanol, alpha-(p-isopentylthiophenyl)-
CID 156267
1-Imidazoleethanol, beta-methyl-alpha-(p-phenylthiophenyl)-
CID 3057082

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol?
The IUPAC name of 2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol (CID 3057081) is 2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol?
The canonical SMILES for 2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol is OC(Cn1ccnc1)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol?
The InChIKey is XYCDDPVRWZIKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(12-19-11-10-18-13-19)14-6-8-16(9-7-14)21-15-4-2-1-3-5-15/h1-11,13,17,20H,12H2.
What are the key properties of 2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol?
2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol has a molecular weight of 296.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanol is sourced from PubChem (CID 3057081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).