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

C18H13ClF3N3O — CID 51361091

IUPACN-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C18H13ClF3N3O/c19-13-9-5-4-8-12(13)10-23-16(26)15-14(11-6-2-1-3-7-11)24-17(25-15)18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25)
InChIKeyINDGOTNZDKJTNW-UHFFFAOYSA-N
MW379.77 g/mol
LogP4.68
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 51361091) has the molecular formula C18H13ClF3N3O and a molecular weight of 379.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID51361091
Molecular FormulaC18H13ClF3N3O
Molecular Weight379.77 g/mol
Exact Mass379.07
IUPAC NameN-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C18H13ClF3N3O/c19-13-9-5-4-8-12(13)10-23-16(26)15-14(11-6-2-1-3-7-11)24-17(25-15)18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25)
InChIKeyINDGOTNZDKJTNW-UHFFFAOYSA-N
XLogP4.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.77
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(2-(4-Chlorophenyl)-1H-imidazol-4-yl)(4-fluorophenyl)methanone
CID 49787842
4-(3-chlorophenyl)-1H-imidazole-5-carboxamide
CID 16658820
N-(4-chlorobenzyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 16018396
3-(4-Chlorophenyl)-N-(2-phenylethyl)-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carboxamide
CID 16021681
N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide
CID 46918487
N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361085
(4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
CID 51361140
N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide
CID 56666425
2-(2-Chlorophenyl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one
CID 71659356
4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361096
1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide
CID 51361154
N-[(2-Chlorophenyl)methyl]-3-(4-methylphenyl)-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carboxamide
CID 16018394

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 51361091) is N-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is O=C(NCc1ccccc1Cl)c1[nH]c(C(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is INDGOTNZDKJTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O/c19-13-9-5-4-8-12(13)10-23-16(26)15-14(11-6-2-1-3-7-11)24-17(25-15)18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 379.77 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 51361091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).