2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol

C28H28Cl2N2O3S — CID 59251326

IUPAC2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3Cc3cccc(Cl)c3Cl)c(C)c2)c1
InChIInChI=1S/C28H28Cl2N2O3S/c1-5-36(34,35)22-10-6-8-19(15-22)20-12-13-24(18(2)14-20)32-17-25(28(3,4)33)31-26(32)16-21-9-7-11-23(29)27(21)30/h6-15,17,33H,5,16H2,1-4H3
InChIKeyUHZNBUWPTITKPO-UHFFFAOYSA-N
MW543.52 g/mol
LogP6.77
Rot. Bonds7

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

2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251326) has the molecular formula C28H28Cl2N2O3S and a molecular weight of 543.52 g/mol. Its IUPAC name is 2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251326
Molecular FormulaC28H28Cl2N2O3S
Molecular Weight543.52 g/mol
Exact Mass542.12
IUPAC Name2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3Cc3cccc(Cl)c3Cl)c(C)c2)c1
InChIInChI=1S/C28H28Cl2N2O3S/c1-5-36(34,35)22-10-6-8-19(15-22)20-12-13-24(18(2)14-20)32-17-25(28(3,4)33)31-26(32)16-21-9-7-11-23(29)27(21)30/h6-15,17,33H,5,16H2,1-4H3
InChIKeyUHZNBUWPTITKPO-UHFFFAOYSA-N
XLogP6.77
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.52
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]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-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol (CID 59251326) is 2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol is CCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3Cc3cccc(Cl)c3Cl)c(C)c2)c1.
What is the InChIKey of 2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is UHZNBUWPTITKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N2O3S/c1-5-36(34,35)22-10-6-8-19(15-22)20-12-13-24(18(2)14-20)32-17-25(28(3,4)33)31-26(32)16-21-9-7-11-23(29)27(21)30/h6-15,17,33H,5,16H2,1-4H3.
What are the key properties of 2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol?
2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 543.52 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).