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

C25H20Cl2FN3O3S — CID 15947396

IUPAC2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(=O)NCCF)nc3-c3c(Cl)cccc3Cl)cc2)c1
InChIInChI=1S/C25H20Cl2FN3O3S/c1-35(33,34)19-5-2-4-17(14-19)16-8-10-18(11-9-16)31-15-22(25(32)29-13-12-28)30-24(31)23-20(26)6-3-7-21(23)27/h2-11,14-15H,12-13H2,1H3,(H,29,32)
InChIKeyHWKCMPDQEFGBRJ-UHFFFAOYSA-N
MW532.42 g/mol
LogP5.62
Rot. Bonds7

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

2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide (PubChem CID 15947396) has the molecular formula C25H20Cl2FN3O3S and a molecular weight of 532.42 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide
PubChem CID15947396
Molecular FormulaC25H20Cl2FN3O3S
Molecular Weight532.42 g/mol
Exact Mass531.06
IUPAC Name2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(=O)NCCF)nc3-c3c(Cl)cccc3Cl)cc2)c1
InChIInChI=1S/C25H20Cl2FN3O3S/c1-35(33,34)19-5-2-4-17(14-19)16-8-10-18(11-9-16)31-15-22(25(32)29-13-12-28)30-24(31)23-20(26)6-3-7-21(23)27/h2-11,14-15H,12-13H2,1H3,(H,29,32)
InChIKeyHWKCMPDQEFGBRJ-UHFFFAOYSA-N
XLogP5.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.42
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1H-imidazole-4-carboxamide
CID 21948995
N-cyclohexyl-2-(2,4-dichlorophenyl)-1-p-tolyl-1H-imidazole-4-carboxamide
CID 44425199
2-(2-Chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole
CID 59251295
2-(2-chlorophenyl)-N-cyclohexyl-1-p-tolyl-1H-imidazole-4-carboxamide
CID 44425203
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
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)-1-[4-(3-methylsulfonylphenyl)phenyl]-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 15947397
N-cyclohexyl-2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 21949074

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide (CID 15947396) is 2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide is CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(=O)NCCF)nc3-c3c(Cl)cccc3Cl)cc2)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is HWKCMPDQEFGBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2FN3O3S/c1-35(33,34)19-5-2-4-17(14-19)16-8-10-18(11-9-16)31-15-22(25(32)29-13-12-28)30-24(31)23-20(26)6-3-7-21(23)27/h2-11,14-15H,12-13H2,1H3,(H,29,32).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide?
2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 532.42 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 15947396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).