[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol

C14H18N2O3S — CID 6460483

IUPAC[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol
SMILESCCS(=O)(=O)c1ncc(CO)n1CCc1ccccc1
InChIInChI=1S/C14H18N2O3S/c1-2-20(18,19)14-15-10-13(11-17)16(14)9-8-12-6-4-3-5-7-12/h3-7,10,17H,2,8-9,11H2,1H3
InChIKeyJNCPPUMVKOXHFA-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.41
Rot. Bonds6

About [2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol

[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol (PubChem CID 6460483) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is [2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol
PubChem CID6460483
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol
SMILESCCS(=O)(=O)c1ncc(CO)n1CCc1ccccc1
InChIInChI=1S/C14H18N2O3S/c1-2-20(18,19)14-15-10-13(11-17)16(14)9-8-12-6-4-3-5-7-12/h3-7,10,17H,2,8-9,11H2,1H3
InChIKeyJNCPPUMVKOXHFA-UHFFFAOYSA-N
XLogP1.41
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol?
The IUPAC name of [2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol (CID 6460483) is [2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol.
What is the SMILES notation for [2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol?
The canonical SMILES for [2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol is CCS(=O)(=O)c1ncc(CO)n1CCc1ccccc1.
What is the InChIKey of [2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol?
The InChIKey is JNCPPUMVKOXHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-20(18,19)14-15-10-13(11-17)16(14)9-8-12-6-4-3-5-7-12/h3-7,10,17H,2,8-9,11H2,1H3.
What are the key properties of [2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol?
[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol has a molecular weight of 294.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol is sourced from PubChem (CID 6460483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).