N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide

C100H80N16O4 — CID 139149475

IUPACN-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide
SMILESCN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12.CN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12.CN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12.CN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12
InChIInChI=1S/4C25H20N4O/c4*1-28-21-13-7-6-12-19(21)27-24(28)20-16-15-17-11-8-14-22(23(17)26-20)29(2)25(30)18-9-4-3-5-10-18/h4*3-16H,1-2H3
InChIKeyYXLNEWLAFXVELB-UHFFFAOYSA-N
MW1569.85 g/mol
LogP20.26
Rot. Bonds12

About N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide

N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide (PubChem CID 139149475) has the molecular formula C100H80N16O4 and a molecular weight of 1569.85 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide
PubChem CID139149475
Molecular FormulaC100H80N16O4
Molecular Weight1569.85 g/mol
Exact Mass1568.65
IUPAC NameN-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide
SMILESCN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12.CN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12.CN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12.CN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12
InChIInChI=1S/4C25H20N4O/c4*1-28-21-13-7-6-12-19(21)27-24(28)20-16-15-17-11-8-14-22(23(17)26-20)29(2)25(30)18-9-4-3-5-10-18/h4*3-16H,1-2H3
InChIKeyYXLNEWLAFXVELB-UHFFFAOYSA-N
XLogP20.26
TPSA204.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001569.85
LogP ≤ 520.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide 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

C.I. Vat Red 14
CID 90476986
[1-Cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)-6-quinolyl]benzimidazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 5276201
6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one
CID 156705252
2,2'-(1,4-Piperazinediyldi-3,1-propanediyl)bis[benzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione]
CID 165367324
2-[3-[2-[2-[2-[1-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propyl]benzimidazol-2-yl]ethyl-[2-[1-[3-(1,3-dioxophenalen-2-yl)propyl]benzimidazol-2-yl]ethyl]amino]ethyl]benzimidazol-1-yl]propyl]benzo[de]isoquinoline-1,3-dione
CID 172448462
7-[(2-Chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(2,2,2-trifluoroethyl)benzimidazol-1-yl]methyl]quinoline-2-carboxamide
CID 157319707
N-[(3R,4R)-1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-4-methylpiperidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R,4S)-1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-4-methylpiperidin-3-yl]-2,2,2-trifluoroacetamide
CID 157585475
2-[2-[5-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylbenzimidazol-2-yl]indol-1-yl]acetonitrile;[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-ethynylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;bis([(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-propan-2-ylindol-2-yl)benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 157678232
2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide
CID 157905031
CID 160026676
CID 160026676
7-[(2-Cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(2,2,2-trifluoroethyl)benzimidazol-1-yl]methyl]quinoline-2-carboxamide
CID 160825363
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazole-5-carboxamide;methane;5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;N-methyl-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbenzimidazole-5-carboxamide
CID 161615244

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide?
The IUPAC name of N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide (CID 139149475) is N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide.
What is the SMILES notation for N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide?
The canonical SMILES for N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide is CN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12.CN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12.CN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12.CN(C(=O)c1ccccc1)c1cccc2ccc(-c3nc4ccccc4n3C)nc12.
What is the InChIKey of N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide?
The InChIKey is YXLNEWLAFXVELB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C25H20N4O/c4*1-28-21-13-7-6-12-19(21)27-24(28)20-16-15-17-11-8-14-22(23(17)26-20)29(2)25(30)18-9-4-3-5-10-18/h4*3-16H,1-2H3.
What are the key properties of N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide?
N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide has a molecular weight of 1569.85 g/mol, XLogP of 20.26, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylbenzimidazol-2-yl)quinolin-8-yl]benzamide is sourced from PubChem (CID 139149475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).