[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol

C19H20N2OS — CID 22576278

IUPAC[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol
SMILESOCc1cnc(SCCc2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C19H20N2OS/c22-15-18-13-20-19(21(18)14-17-9-5-2-6-10-17)23-12-11-16-7-3-1-4-8-16/h1-10,13,22H,11-12,14-15H2
InChIKeyVYLYHZYTSFWMJL-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.76
Rot. Bonds7

About [3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol

[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol (PubChem CID 22576278) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is [3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol
PubChem CID22576278
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol
SMILESOCc1cnc(SCCc2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C19H20N2OS/c22-15-18-13-20-19(21(18)14-17-9-5-2-6-10-17)23-12-11-16-7-3-1-4-8-16/h1-10,13,22H,11-12,14-15H2
InChIKeyVYLYHZYTSFWMJL-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol?
The IUPAC name of [3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol (CID 22576278) is [3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol is OCc1cnc(SCCc2ccccc2)n1Cc1ccccc1.
What is the InChIKey of [3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol?
The InChIKey is VYLYHZYTSFWMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c22-15-18-13-20-19(21(18)14-17-9-5-2-6-10-17)23-12-11-16-7-3-1-4-8-16/h1-10,13,22H,11-12,14-15H2.
What are the key properties of [3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol?
[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol has a molecular weight of 324.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol is sourced from PubChem (CID 22576278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).