1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C24H20F3N3O3 — CID 166635619

IUPAC1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3Cc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N3O3/c1-33-18-9-7-17(19(12-18)24(25,26)27)13-28-22(31)16-8-10-21-20(11-16)29-23(32)30(21)14-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyWZXYPFYAYZHGEC-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.34
Rot. Bonds6

About 1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 166635619) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is 1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID166635619
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3Cc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N3O3/c1-33-18-9-7-17(19(12-18)24(25,26)27)13-28-22(31)16-8-10-21-20(11-16)29-23(32)30(21)14-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyWZXYPFYAYZHGEC-UHFFFAOYSA-N
XLogP4.34
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 166635619) is 1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3Cc2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is WZXYPFYAYZHGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c1-33-18-9-7-17(19(12-18)24(25,26)27)13-28-22(31)16-8-10-21-20(11-16)29-23(32)30(21)14-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 166635619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).