2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol

C26H23Cl2FN2O4S — CID 59251261

IUPAC2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2Cl)c(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C26H23Cl2FN2O4S/c1-26(2,33)23-13-31(25(30-23)24-18(27)5-4-6-20(24)29)21-10-9-15(11-19(21)28)16-7-8-17(14-32)22(12-16)36(3,34)35/h4-13,32-33H,14H2,1-3H3
InChIKeyCFBGNSXWKQIVCN-UHFFFAOYSA-N
MW549.45 g/mol
LogP5.78
Rot. Bonds6

About 2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol

2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251261) has the molecular formula C26H23Cl2FN2O4S and a molecular weight of 549.45 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251261
Molecular FormulaC26H23Cl2FN2O4S
Molecular Weight549.45 g/mol
Exact Mass548.07
IUPAC Name2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2Cl)c(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C26H23Cl2FN2O4S/c1-26(2,33)23-13-31(25(30-23)24-18(27)5-4-6-20(24)29)21-10-9-15(11-19(21)28)16-7-8-17(14-32)22(12-16)36(3,34)35/h4-13,32-33H,14H2,1-3H3
InChIKeyCFBGNSXWKQIVCN-UHFFFAOYSA-N
XLogP5.78
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.45
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]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-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol (CID 59251261) is 2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2Cl)c(-c2c(F)cccc2Cl)n1.
What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is CFBGNSXWKQIVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2FN2O4S/c1-26(2,33)23-13-31(25(30-23)24-18(27)5-4-6-20(24)29)21-10-9-15(11-19(21)28)16-7-8-17(14-32)22(12-16)36(3,34)35/h4-13,32-33H,14H2,1-3H3.
What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol?
2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 549.45 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-fluorophenyl)-1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).