2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide

C27H23F3N4O3 — CID 154591738

IUPAC2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(Cc1ccc(C(F)(F)F)cc1OC)n2-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C27H23F3N4O3/c1-31-26(36)17-4-9-22-21(12-17)32-24(13-16-3-6-18(27(28,29)30)14-23(16)37-2)34(22)19-7-8-20-15(11-19)5-10-25(35)33-20/h3-4,6-9,11-12,14H,5,10,13H2,1-2H3,(H,31,36)(H,33,35)
InChIKeyTWSOGQZTXWOLLS-UHFFFAOYSA-N
MW508.50 g/mol
LogP4.89
Rot. Bonds5

About 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide

2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide (PubChem CID 154591738) has the molecular formula C27H23F3N4O3 and a molecular weight of 508.50 g/mol. Its IUPAC name is 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
PubChem CID154591738
Molecular FormulaC27H23F3N4O3
Molecular Weight508.50 g/mol
Exact Mass508.17
IUPAC Name2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(Cc1ccc(C(F)(F)F)cc1OC)n2-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C27H23F3N4O3/c1-31-26(36)17-4-9-22-21(12-17)32-24(13-16-3-6-18(27(28,29)30)14-23(16)37-2)34(22)19-7-8-20-15(11-19)5-10-25(35)33-20/h3-4,6-9,11-12,14H,5,10,13H2,1-2H3,(H,31,36)(H,33,35)
InChIKeyTWSOGQZTXWOLLS-UHFFFAOYSA-N
XLogP4.89
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)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

Related Compounds

2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
CID 175036611
3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide
CID 176741228
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
N-(4-chloro-2,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24531669
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24613235
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate
CID 18113019
5-[2-methoxy-4-(trifluoromethyl)phenyl]pentan-2-one
CID 83921366
6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 81126938
N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 146216608

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide (CID 154591738) is 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)nc(Cc1ccc(C(F)(F)F)cc1OC)n2-c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The InChIKey is TWSOGQZTXWOLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O3/c1-31-26(36)17-4-9-22-21(12-17)32-24(13-16-3-6-18(27(28,29)30)14-23(16)37-2)34(22)19-7-8-20-15(11-19)5-10-25(35)33-20/h3-4,6-9,11-12,14H,5,10,13H2,1-2H3,(H,31,36)(H,33,35).
What are the key properties of 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide has a molecular weight of 508.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 154591738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).