1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

C25H17Cl3F3N3O3S — CID 59251558

IUPAC1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(=O)NCC(F)(F)F)nc3-c3c(Cl)cccc3Cl)c(Cl)c2)c1
InChIInChI=1S/C25H17Cl3F3N3O3S/c1-38(36,37)16-5-2-4-14(10-16)15-8-9-21(19(28)11-15)34-12-20(24(35)32-13-25(29,30)31)33-23(34)22-17(26)6-3-7-18(22)27/h2-12H,13H2,1H3,(H,32,35)
InChIKeyAURKKPHYIACPEF-UHFFFAOYSA-N
MW602.85 g/mol
LogP6.86
Rot. Bonds6

About 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (PubChem CID 59251558) has the molecular formula C25H17Cl3F3N3O3S and a molecular weight of 602.85 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
PubChem CID59251558
Molecular FormulaC25H17Cl3F3N3O3S
Molecular Weight602.85 g/mol
Exact Mass601.00
IUPAC Name1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(=O)NCC(F)(F)F)nc3-c3c(Cl)cccc3Cl)c(Cl)c2)c1
InChIInChI=1S/C25H17Cl3F3N3O3S/c1-38(36,37)16-5-2-4-14(10-16)15-8-9-21(19(28)11-15)34-12-20(24(35)32-13-25(29,30)31)33-23(34)22-17(26)6-3-7-18(22)27/h2-12H,13H2,1H3,(H,32,35)
InChIKeyAURKKPHYIACPEF-UHFFFAOYSA-N
XLogP6.86
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.85
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole
CID 59251295
2-(4-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole-4-carboxylic acid diethylamide
CID 10526696
1-[3',5'-bis(trifluoromethyl)[1,1'-biphenyl]-4-yl]-N-(2-{[(2,6-dichlorophenyl)methyl]sulfanyl}ethyl)-1H-imidazole-5-carboxamide
CID 46081347
1-[3',5'-bis(trifluoromethyl)[1,1'-biphenyl]-4-yl]-N-[(2,4-dichloro-6-methylphenyl)methyl]-1H-imidazole-5-carboxamide
CID 46081348
N-(2-{[(2,6-dichlorophenyl)methyl]sulfanyl}ethyl)-1-[2'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide
CID 46081581
N-(2-{[(2,6-dichlorophenyl)methyl]sulfanyl}ethyl)-1-(3',4'-difluoro[1,1'-biphenyl]-4-yl)-1H-imidazole-5-carboxamide
CID 46103212
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(3',4'-difluoro[1,1'-biphenyl]-4-yl)-1H-imidazole-5-carboxamide
CID 46103213
1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 15947395
2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide
CID 15947396
2-(2,6-dichlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 15947397
N-{[2-(2-chlorophenyl)-1-(4-chlorophenyl)-1H-imidazol-4-yl]carbonyl}-4-(trifluoromethyl)benzenesulfonamide
CID 22285489
2-[1-[2-Chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 59240114

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The IUPAC name of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (CID 59251558) is 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(=O)NCC(F)(F)F)nc3-c3c(Cl)cccc3Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The InChIKey is AURKKPHYIACPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl3F3N3O3S/c1-38(36,37)16-5-2-4-14(10-16)15-8-9-21(19(28)11-15)34-12-20(24(35)32-13-25(29,30)31)33-23(34)22-17(26)6-3-7-18(22)27/h2-12H,13H2,1H3,(H,32,35).
What are the key properties of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide has a molecular weight of 602.85 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is sourced from PubChem (CID 59251558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).