2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol

C23H16Cl3F3N2O4S — CID 150998905

IUPAC2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol
SMILESCS(=O)(=O)c1ccc(C(CO)c2nc3c(Cl)c(-c4ccccc4OC(F)(F)F)c(Cl)cc3[nH]2)c(Cl)c1
InChIInChI=1S/C23H16Cl3F3N2O4S/c1-36(33,34)11-6-7-12(15(24)8-11)14(10-32)22-30-17-9-16(25)19(20(26)21(17)31-22)13-4-2-3-5-18(13)35-23(27,28)29/h2-9,14,32H,10H2,1H3,(H,30,31)
InChIKeyLTROQYRZFRUITR-UHFFFAOYSA-N
MW579.81 g/mol
LogP6.62
Rot. Bonds6

About 2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol

2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol (PubChem CID 150998905) has the molecular formula C23H16Cl3F3N2O4S and a molecular weight of 579.81 g/mol. Its IUPAC name is 2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol
PubChem CID150998905
Molecular FormulaC23H16Cl3F3N2O4S
Molecular Weight579.81 g/mol
Exact Mass577.98
IUPAC Name2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol
SMILESCS(=O)(=O)c1ccc(C(CO)c2nc3c(Cl)c(-c4ccccc4OC(F)(F)F)c(Cl)cc3[nH]2)c(Cl)c1
InChIInChI=1S/C23H16Cl3F3N2O4S/c1-36(33,34)11-6-7-12(15(24)8-11)14(10-32)22-30-17-9-16(25)19(20(26)21(17)31-22)13-4-2-3-5-18(13)35-23(27,28)29/h2-9,14,32H,10H2,1H3,(H,30,31)
InChIKeyLTROQYRZFRUITR-UHFFFAOYSA-N
XLogP6.62
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.81
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol 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-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol?
The IUPAC name of 2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol (CID 150998905) is 2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol?
The canonical SMILES for 2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol is CS(=O)(=O)c1ccc(C(CO)c2nc3c(Cl)c(-c4ccccc4OC(F)(F)F)c(Cl)cc3[nH]2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol?
The InChIKey is LTROQYRZFRUITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3F3N2O4S/c1-36(33,34)11-6-7-12(15(24)8-11)14(10-32)22-30-17-9-16(25)19(20(26)21(17)31-22)13-4-2-3-5-18(13)35-23(27,28)29/h2-9,14,32H,10H2,1H3,(H,30,31).
What are the key properties of 2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol?
2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol has a molecular weight of 579.81 g/mol, XLogP of 6.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol is sourced from PubChem (CID 150998905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).