1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

C25H17Cl3F3N3O — CID 11249677

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H17Cl3F3N3O/c1-14-22(24(35)32-13-15-2-4-16(5-3-15)25(29,30)31)33-23(20-11-8-18(27)12-21(20)28)34(14)19-9-6-17(26)7-10-19/h2-12H,13H2,1H3,(H,32,35)
InChIKeyHQHBPIPKHVSEIN-UHFFFAOYSA-N
MW538.78 g/mol
LogP7.76
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 11249677) has the molecular formula C25H17Cl3F3N3O and a molecular weight of 538.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
PubChem CID11249677
Molecular FormulaC25H17Cl3F3N3O
Molecular Weight538.78 g/mol
Exact Mass537.04
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H17Cl3F3N3O/c1-14-22(24(35)32-13-15-2-4-16(5-3-15)25(29,30)31)33-23(20-11-8-18(27)12-21(20)28)34(14)19-9-6-17(26)7-10-19/h2-12H,13H2,1H3,(H,32,35)
InChIKeyHQHBPIPKHVSEIN-UHFFFAOYSA-N
XLogP7.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.78
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (CID 11249677) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is HQHBPIPKHVSEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl3F3N3O/c1-14-22(24(35)32-13-15-2-4-16(5-3-15)25(29,30)31)33-23(20-11-8-18(27)12-21(20)28)34(14)19-9-6-17(26)7-10-19/h2-12H,13H2,1H3,(H,32,35).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 538.78 g/mol, XLogP of 7.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 11249677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).