N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide

C25H19ClF3N3O — CID 46081375

IUPACN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cncc2C(=O)NCc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C25H19ClF3N3O/c1-16-4-2-3-5-21(16)17-6-9-20(10-7-17)32-15-30-14-23(32)24(33)31-13-18-12-19(25(27,28)29)8-11-22(18)26/h2-12,14-15H,13H2,1H3,(H,31,33)
InChIKeyOQQZJIGWHLSKQP-UHFFFAOYSA-N
MW469.89 g/mol
LogP6.45
Rot. Bonds5

About N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide

N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide (PubChem CID 46081375) has the molecular formula C25H19ClF3N3O and a molecular weight of 469.89 g/mol. Its IUPAC name is N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
PubChem CID46081375
Molecular FormulaC25H19ClF3N3O
Molecular Weight469.89 g/mol
Exact Mass469.12
IUPAC NameN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cncc2C(=O)NCc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C25H19ClF3N3O/c1-16-4-2-3-5-21(16)17-6-9-20(10-7-17)32-15-30-14-23(32)24(33)31-13-18-12-19(25(27,28)29)8-11-22(18)26/h2-12,14-15H,13H2,1H3,(H,31,33)
InChIKeyOQQZJIGWHLSKQP-UHFFFAOYSA-N
XLogP6.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.89
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tipifarnib
CID 159324
R115777
CID 148193
Tipifarnib (S enantiomer)
CID 9935249
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide
CID 10001816
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-1H-imidazole-4-carboxamide
CID 11247889
6-[Amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one
CID 21302375
N-cyclohexyl-2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1H-imidazole-4-carboxamide
CID 21948995
1-(4-chlorophenyl)-N-cyclohexyl-2-phenyl-1H-imidazole-4-carboxamide
CID 22285546
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-4-carboxamide
CID 23398439
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide
CID 42618068
7-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4-yl)-methyl]-5-(3-chloro-phenyl)-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 44286156
N-cyclohexyl-2-(2,4-dichlorophenyl)-1-p-tolyl-1H-imidazole-4-carboxamide
CID 44425199

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide (CID 46081375) is N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide is Cc1ccccc1-c1ccc(-n2cncc2C(=O)NCc2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is OQQZJIGWHLSKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N3O/c1-16-4-2-3-5-21(16)17-6-9-20(10-7-17)32-15-30-14-23(32)24(33)31-13-18-12-19(25(27,28)29)8-11-22(18)26/h2-12,14-15H,13H2,1H3,(H,31,33).
What are the key properties of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 469.89 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 46081375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).