2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol

C28H26Cl2F2N2O3S — CID 160957508

IUPAC2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol
SMILESCCc1c(F)cc(-c2ccc(-n3cc(C(C)(C)O)nc3Cc3c(Cl)cccc3Cl)c(F)c2)cc1S(C)(=O)=O
InChIInChI=1S/C28H26Cl2F2N2O3S/c1-5-18-22(31)12-17(13-25(18)38(4,36)37)16-9-10-24(23(32)11-16)34-15-26(28(2,3)35)33-27(34)14-19-20(29)7-6-8-21(19)30/h6-13,15,35H,5,14H2,1-4H3
InChIKeyHHWYAAAAYVUZPO-UHFFFAOYSA-N
MW579.50 g/mol
LogP6.91
Rot. Bonds7

About 2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol

2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol (PubChem CID 160957508) has the molecular formula C28H26Cl2F2N2O3S and a molecular weight of 579.50 g/mol. Its IUPAC name is 2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol
PubChem CID160957508
Molecular FormulaC28H26Cl2F2N2O3S
Molecular Weight579.50 g/mol
Exact Mass578.10
IUPAC Name2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol
SMILESCCc1c(F)cc(-c2ccc(-n3cc(C(C)(C)O)nc3Cc3c(Cl)cccc3Cl)c(F)c2)cc1S(C)(=O)=O
InChIInChI=1S/C28H26Cl2F2N2O3S/c1-5-18-22(31)12-17(13-25(18)38(4,36)37)16-9-10-24(23(32)11-16)34-15-26(28(2,3)35)33-27(34)14-19-20(29)7-6-8-21(19)30/h6-13,15,35H,5,14H2,1-4H3
InChIKeyHHWYAAAAYVUZPO-UHFFFAOYSA-N
XLogP6.91
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.50
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]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-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol (CID 160957508) is 2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol is CCc1c(F)cc(-c2ccc(-n3cc(C(C)(C)O)nc3Cc3c(Cl)cccc3Cl)c(F)c2)cc1S(C)(=O)=O.
What is the InChIKey of 2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is HHWYAAAAYVUZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2F2N2O3S/c1-5-18-22(31)12-17(13-25(18)38(4,36)37)16-9-10-24(23(32)11-16)34-15-26(28(2,3)35)33-27(34)14-19-20(29)7-6-8-21(19)30/h6-13,15,35H,5,14H2,1-4H3.
What are the key properties of 2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol?
2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 579.50 g/mol, XLogP of 6.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-(4-ethyl-3-fluoro-5-methylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 160957508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).