2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

C18H14ClF3N2O3S — CID 10741315

IUPAC2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C18H14ClF3N2O3S/c1-27-15-8-3-11(9-14(15)19)17-23-16(18(20,21)22)10-24(17)12-4-6-13(7-5-12)28(2,25)26/h3-10H,1-2H3
InChIKeyVXMHCTQEVQJYCY-UHFFFAOYSA-N
MW430.84 g/mol
LogP4.62
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 10741315) has the molecular formula C18H14ClF3N2O3S and a molecular weight of 430.84 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID10741315
Molecular FormulaC18H14ClF3N2O3S
Molecular Weight430.84 g/mol
Exact Mass430.04
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C18H14ClF3N2O3S/c1-27-15-8-3-11(9-14(15)19)17-23-16(18(20,21)22)10-24(17)12-4-6-13(7-5-12)28(2,25)26/h3-10H,1-2H3
InChIKeyVXMHCTQEVQJYCY-UHFFFAOYSA-N
XLogP4.62
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.84
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cimicoxib
CID 213053
2-[5-(3-Chloro-4-methoxy-phenyl)-3-difluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10112427
4-Chloro-5-(3,5-dichloro-4-methoxy-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10113620
1h-Imidazole,2-(3-fluoro-4-methoxyphenyl)-1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-
CID 10136509
2-[5-(3-Chloro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10137637
4-Chloro-5-(3-chloro-4-methoxy-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10157624
4-[2-(3-Chloro-4-methoxy-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10159879
4-Chloro-5-(4-fluoro-3-methoxy-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10177830
4-[4-Chloro-5-(3-chloro-4-ethoxy-phenyl)-imidazol-1-yl]-benzenesulfonamide
CID 10179876
4-Chloro-5-(4-ethoxy-3-fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10200696
4-[4-Chloro-5-(3-chloro-4-methoxy-phenyl)-imidazol-1-yl]-benzenesulfonamide
CID 10294269
4-Chloro-5-(3-chloro-4-ethoxy-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10295072

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 10741315) is 2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is COc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is VXMHCTQEVQJYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O3S/c1-27-15-8-3-11(9-14(15)19)17-23-16(18(20,21)22)10-24(17)12-4-6-13(7-5-12)28(2,25)26/h3-10H,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 430.84 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 10741315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).