2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide

C99H83F3N20O11 — CID 161132258

IUPAC2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide
SMILESCCC(=O)c1cccnc1-c1nc2cc(C(=O)NC)ccc2n1-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1cccnc1C(C)=O)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ccnc(CO)c1)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ccncc1C(F)(F)F)n2-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C26H23N5O3.C25H21N5O3.C24H18F3N5O2.C24H21N5O3/c1-3-22(32)18-5-4-12-28-24(18)25-30-20-14-16(26(34)27-2)6-10-21(20)31(25)17-8-9-19-15(13-17)7-11-23(33)29-19;1-14(31)23-18(4-3-11-27-23)24-29-20-13-16(25(33)26-2)5-9-21(20)30(24)17-7-8-19-15(12-17)6-10-22(32)28-19;1-28-23(34)14-2-6-20-19(11-14)31-22(16-8-9-29-12-17(16)24(25,26)27)32(20)15-4-5-18-13(10-15)3-7-21(33)30-18;1-25-24(32)16-2-6-21-20(12-16)28-23(15-8-9-26-17(10-15)13-30)29(21)18-4-5-19-14(11-18)3-7-22(31)27-19/h4-6,8-10,12-14H,3,7,11H2,1-2H3,(H,27,34)(H,29,33);3-5,7-9,11-13H,6,10H2,1-2H3,(H,26,33)(H,28,32);2,4-6,8-12H,3,7H2,1H3,(H,28,34)(H,30,33);2,4-6,8-12,30H,3,7,13H2,1H3,(H,25,32)(H,27,31)
InChIKeyUMIRCAKWGAPNOP-UHFFFAOYSA-N
MW1785.88 g/mol
LogP14.63
Rot. Bonds16

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

2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide (PubChem CID 161132258) has the molecular formula C99H83F3N20O11 and a molecular weight of 1785.88 g/mol. Its IUPAC name is 2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide
PubChem CID161132258
Molecular FormulaC99H83F3N20O11
Molecular Weight1785.88 g/mol
Exact Mass1784.65
IUPAC Name2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide
SMILESCCC(=O)c1cccnc1-c1nc2cc(C(=O)NC)ccc2n1-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1cccnc1C(C)=O)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ccnc(CO)c1)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ccncc1C(F)(F)F)n2-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C26H23N5O3.C25H21N5O3.C24H18F3N5O2.C24H21N5O3/c1-3-22(32)18-5-4-12-28-24(18)25-30-20-14-16(26(34)27-2)6-10-21(20)31(25)17-8-9-19-15(13-17)7-11-23(33)29-19;1-14(31)23-18(4-3-11-27-23)24-29-20-13-16(25(33)26-2)5-9-21(20)30(24)17-7-8-19-15(12-17)6-10-22(32)28-19;1-28-23(34)14-2-6-20-19(11-14)31-22(16-8-9-29-12-17(16)24(25,26)27)32(20)15-4-5-18-13(10-15)3-7-21(33)30-18;1-25-24(32)16-2-6-21-20(12-16)28-23(15-8-9-26-17(10-15)13-30)29(21)18-4-5-19-14(11-18)3-7-22(31)27-19/h4-6,8-10,12-14H,3,7,11H2,1-2H3,(H,27,34)(H,29,33);3-5,7-9,11-13H,6,10H2,1-2H3,(H,26,33)(H,28,32);2,4-6,8-12H,3,7H2,1H3,(H,28,34)(H,30,33);2,4-6,8-12,30H,3,7,13H2,1H3,(H,25,32)(H,27,31)
InChIKeyUMIRCAKWGAPNOP-UHFFFAOYSA-N
XLogP14.63
TPSA410.01 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms133
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001785.88
LogP ≤ 514.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide (CID 161132258) is 2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide is CCC(=O)c1cccnc1-c1nc2cc(C(=O)NC)ccc2n1-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1cccnc1C(C)=O)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ccnc(CO)c1)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ccncc1C(F)(F)F)n2-c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide?
The InChIKey is UMIRCAKWGAPNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3.C25H21N5O3.C24H18F3N5O2.C24H21N5O3/c1-3-22(32)18-5-4-12-28-24(18)25-30-20-14-16(26(34)27-2)6-10-21(20)31(25)17-8-9-19-15(13-17)7-11-23(33)29-19;1-14(31)23-18(4-3-11-27-23)24-29-20-13-16(25(33)26-2)5-9-21(20)30(24)17-7-8-19-15(12-17)6-10-22(32)28-19;1-28-23(34)14-2-6-20-19(11-14)31-22(16-8-9-29-12-17(16)24(25,26)27)32(20)15-4-5-18-13(10-15)3-7-21(33)30-18;1-25-24(32)16-2-6-21-20(12-16)28-23(15-8-9-26-17(10-15)13-30)29(21)18-4-5-19-14(11-18)3-7-22(31)27-19/h4-6,8-10,12-14H,3,7,11H2,1-2H3,(H,27,34)(H,29,33);3-5,7-9,11-13H,6,10H2,1-2H3,(H,26,33)(H,28,32);2,4-6,8-12H,3,7H2,1H3,(H,28,34)(H,30,33);2,4-6,8-12,30H,3,7,13H2,1H3,(H,25,32)(H,27,31).
What are the key properties of 2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide?
2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide has a molecular weight of 1785.88 g/mol, XLogP of 14.63, 16 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 161132258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).