2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol

C30H34N2O3S — CID 59251338

IUPAC2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(C)C)c(C)c2)c1
InChIInChI=1S/C30H34N2O3S/c1-7-36(34,35)24-12-10-11-22(18-24)23-15-16-27(21(4)17-23)32-19-28(30(5,6)33)31-29(32)26-14-9-8-13-25(26)20(2)3/h8-20,33H,7H2,1-6H3
InChIKeySBTZYKCZTFTRGX-UHFFFAOYSA-N
MW502.68 g/mol
LogP6.66
Rot. Bonds7

About 2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol

2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol (PubChem CID 59251338) has the molecular formula C30H34N2O3S and a molecular weight of 502.68 g/mol. Its IUPAC name is 2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol
PubChem CID59251338
Molecular FormulaC30H34N2O3S
Molecular Weight502.68 g/mol
Exact Mass502.23
IUPAC Name2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(C)C)c(C)c2)c1
InChIInChI=1S/C30H34N2O3S/c1-7-36(34,35)24-12-10-11-22(18-24)23-15-16-27(21(4)17-23)32-19-28(30(5,6)33)31-29(32)26-14-9-8-13-25(26)20(2)3/h8-20,33H,7H2,1-6H3
InChIKeySBTZYKCZTFTRGX-UHFFFAOYSA-N
XLogP6.66
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol 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-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol (CID 59251338) is 2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol is CCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(C)C)c(C)c2)c1.
What is the InChIKey of 2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol?
The InChIKey is SBTZYKCZTFTRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3S/c1-7-36(34,35)24-12-10-11-22(18-24)23-15-16-27(21(4)17-23)32-19-28(30(5,6)33)31-29(32)26-14-9-8-13-25(26)20(2)3/h8-20,33H,7H2,1-6H3.
What are the key properties of 2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol?
2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol has a molecular weight of 502.68 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).