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

C76H66F3N13O8 — CID 158507627

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

2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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 158507627) has the molecular formula C76H66F3N13O8 and a molecular weight of 1346.44 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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.

Molecular Properties

• Compound Name: 2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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: 158507627
• Molecular Formula: C76H66F3N13O8
• Molecular Weight: 1346.44 g/mol
• Exact Mass: 1345.51
• IUPAC Name: 2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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
• SMILES: CNC(=O)c1ccc2c(c1)nc(-c1ccccc1CO)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ccccc1N)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(Cc1ccc(C(F)(F)F)cc1OC)n2-c1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C27H23F3N4O3.C25H22N4O3.C24H21N5O2/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;1-26-25(32)16-6-10-22-21(13-16)28-24(19-5-3-2-4-17(19)14-30)29(22)18-8-9-20-15(12-18)7-11-23(31)27-20;1-26-24(31)15-6-10-21-20(13-15)28-23(17-4-2-3-5-18(17)25)29(21)16-8-9-19-14(12-16)7-11-22(30)27-19/h3-4,6-9,11-12,14H,5,10,13H2,1-2H3,(H,31,36)(H,33,35);2-6,8-10,12-13,30H,7,11,14H2,1H3,(H,26,32)(H,27,31);2-6,8-10,12-13H,7,11,25H2,1H3,(H,26,31)(H,27,30)
• InChIKey: HKQMOYFWWVVDAU-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 283.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1346.44
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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?

The IUPAC name of 2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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 (CID 158507627) is 2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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.

What is the SMILES notation for 2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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?

The canonical SMILES for 2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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 is CNC(=O)c1ccc2c(c1)nc(-c1ccccc1CO)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ccccc1N)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(Cc1ccc(C(F)(F)F)cc1OC)n2-c1ccc2c(c1)CCC(=O)N2.

What is the InChIKey of 2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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?

The InChIKey is HKQMOYFWWVVDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O3.C25H22N4O3.C24H21N5O2/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;1-26-25(32)16-6-10-22-21(13-16)28-24(19-5-3-2-4-17(19)14-30)29(22)18-8-9-20-15(12-18)7-11-23(31)27-20;1-26-24(31)15-6-10-21-20(13-15)28-23(17-4-2-3-5-18(17)25)29(21)16-8-9-19-14(12-16)7-11-22(30)27-19/h3-4,6-9,11-12,14H,5,10,13H2,1-2H3,(H,31,36)(H,33,35);2-6,8-10,12-13,30H,7,11,14H2,1H3,(H,26,32)(H,27,31);2-6,8-10,12-13H,7,11,25H2,1H3,(H,26,31)(H,27,30).

What are the key properties of 2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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?

2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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 1346.44 g/mol, XLogP of 11.84, 12 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminophenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)phenyl]-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 is sourced from PubChem (CID 158507627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).