N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C91H64Cl5F12N19O5 — CID 160500984

IUPACN-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc2nc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)[nH]c2c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(N(C)C)ncc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(-n4cccc4)cc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C25H17ClF3N5O.C23H16ClF3N4O2.C22H18ClF3N6O.C21H13Cl2F3N4O/c1-14-17(6-9-22(30-14)25(27,28)29)24(35)31-15-4-7-19(26)18(12-15)23-32-20-8-5-16(13-21(20)33-23)34-10-2-3-11-34;1-11-15(5-8-20(28-11)23(25,26)27)22(33)29-14-4-6-17(24)16(10-14)21-30-18-7-3-13(12(2)32)9-19(18)31-21;1-11-13(5-7-18(28-11)22(24,25)26)21(33)29-12-4-6-15(23)14(8-12)20-30-16-9-19(32(2)3)27-10-17(16)31-20;1-10-13(4-7-18(27-10)21(24,25)26)20(31)28-12-3-5-15(23)14(9-12)19-29-16-6-2-11(22)8-17(16)30-19/h2-13H,1H3,(H,31,35)(H,32,33);3-10H,1-2H3,(H,29,33)(H,30,31);4-10H,1-3H3,(H,29,33)(H,30,31);2-9H,1H3,(H,28,31)(H,29,30)
InChIKeyQRTVHCIBPHJKNA-UHFFFAOYSA-N
MW1908.88 g/mol
LogP24.54
Rot. Bonds15

About N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 160500984) has the molecular formula C91H64Cl5F12N19O5 and a molecular weight of 1908.88 g/mol. Its IUPAC name is N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID160500984
Molecular FormulaC91H64Cl5F12N19O5
Molecular Weight1908.88 g/mol
Exact Mass1905.36
IUPAC NameN-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc2nc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)[nH]c2c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(N(C)C)ncc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(-n4cccc4)cc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C25H17ClF3N5O.C23H16ClF3N4O2.C22H18ClF3N6O.C21H13Cl2F3N4O/c1-14-17(6-9-22(30-14)25(27,28)29)24(35)31-15-4-7-19(26)18(12-15)23-32-20-8-5-16(13-21(20)33-23)34-10-2-3-11-34;1-11-15(5-8-20(28-11)23(25,26)27)22(33)29-14-4-6-17(24)16(10-14)21-30-18-7-3-13(12(2)32)9-19(18)31-21;1-11-13(5-7-18(28-11)22(24,25)26)21(33)29-12-4-6-15(23)14(8-12)20-30-16-9-19(32(2)3)27-10-17(16)31-20;1-10-13(4-7-18(27-10)21(24,25)26)20(31)28-12-3-5-15(23)14(9-12)19-29-16-6-2-11(22)8-17(16)30-19/h2-13H,1H3,(H,31,35)(H,32,33);3-10H,1-2H3,(H,29,33)(H,30,31);4-10H,1-3H3,(H,29,33)(H,30,31);2-9H,1H3,(H,28,31)(H,29,30)
InChIKeyQRTVHCIBPHJKNA-UHFFFAOYSA-N
XLogP24.54
TPSA320.81 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms132
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001908.88
LogP ≤ 524.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 160500984) is N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CC(=O)c1ccc2nc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)[nH]c2c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(N(C)C)ncc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(-n4cccc4)cc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QRTVHCIBPHJKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3N5O.C23H16ClF3N4O2.C22H18ClF3N6O.C21H13Cl2F3N4O/c1-14-17(6-9-22(30-14)25(27,28)29)24(35)31-15-4-7-19(26)18(12-15)23-32-20-8-5-16(13-21(20)33-23)34-10-2-3-11-34;1-11-15(5-8-20(28-11)23(25,26)27)22(33)29-14-4-6-17(24)16(10-14)21-30-18-7-3-13(12(2)32)9-19(18)31-21;1-11-13(5-7-18(28-11)22(24,25)26)21(33)29-12-4-6-15(23)14(8-12)20-30-16-9-19(32(2)3)27-10-17(16)31-20;1-10-13(4-7-18(27-10)21(24,25)26)20(31)28-12-3-5-15(23)14(9-12)19-29-16-6-2-11(22)8-17(16)30-19/h2-13H,1H3,(H,31,35)(H,32,33);3-10H,1-2H3,(H,29,33)(H,30,31);4-10H,1-3H3,(H,29,33)(H,30,31);2-9H,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1908.88 g/mol, XLogP of 24.54, 15 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 160500984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).