N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole

C43H26Cl7F3N10O2 — CID 159770776

IUPACN-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)n1.Clc1ccc(Cl)c(-c2nc3ccccc3[nH]2)n1.Clc1ccc(Cl)nc1.O=Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C20H13ClF3N5O.C12H7Cl2N3.C6H3Cl2NO.C5H3Cl2N/c1-10-11(6-8-15(25-10)20(22,23)24)19(30)29-16-9-7-12(21)17(28-16)18-26-13-4-2-3-5-14(13)27-18;13-7-5-6-10(14)17-11(7)12-15-8-3-1-2-4-9(8)16-12;7-4-1-2-6(8)9-5(4)3-10;6-4-1-2-5(7)8-3-4/h2-9H,1H3,(H,26,27)(H,28,29,30);1-6H,(H,15,16);1-3H;1-3H
InChIKeyNGBVPEGPVFKEJR-UHFFFAOYSA-N
MW1019.91 g/mol
LogP13.77
Rot. Bonds5

About N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole

N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole (PubChem CID 159770776) has the molecular formula C43H26Cl7F3N10O2 and a molecular weight of 1019.91 g/mol. Its IUPAC name is N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound NameN-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole
PubChem CID159770776
Molecular FormulaC43H26Cl7F3N10O2
Molecular Weight1019.91 g/mol
Exact Mass1016.00
IUPAC NameN-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)n1.Clc1ccc(Cl)c(-c2nc3ccccc3[nH]2)n1.Clc1ccc(Cl)nc1.O=Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C20H13ClF3N5O.C12H7Cl2N3.C6H3Cl2NO.C5H3Cl2N/c1-10-11(6-8-15(25-10)20(22,23)24)19(30)29-16-9-7-12(21)17(28-16)18-26-13-4-2-3-5-14(13)27-18;13-7-5-6-10(14)17-11(7)12-15-8-3-1-2-4-9(8)16-12;7-4-1-2-6(8)9-5(4)3-10;6-4-1-2-5(7)8-3-4/h2-9H,1H3,(H,26,27)(H,28,29,30);1-6H,(H,15,16);1-3H;1-3H
InChIKeyNGBVPEGPVFKEJR-UHFFFAOYSA-N
XLogP13.77
TPSA167.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.91
LogP ≤ 513.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole with MolForge

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Related Compounds

N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11554512
N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11683442
2-[(3,5-dichloropyridin-4-yl)amino]-N-[4-(trifluoromethyl)pyridin-2-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45137659
2-[(3,5-dichloropyridin-4-yl)amino]-N-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45138723
N-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(3,5-dichloropyridin-4-yl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45138867
2-[(3,5-dichloropyridin-4-yl)amino]-N-[6-(dimethylamino)-4-(trifluoromethyl)pyridin-2-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45138870
N-[4-(1H-benzimidazol-2-yl)-5-chloropyridin-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 59515625
N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 59515629
N-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyridin-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 59515635
5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172377
5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172431
5-chloro-N-[4-[[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 146172450

Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole?
The IUPAC name of N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole (CID 159770776) is N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole?
The canonical SMILES for N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)n1.Clc1ccc(Cl)c(-c2nc3ccccc3[nH]2)n1.Clc1ccc(Cl)nc1.O=Cc1nc(Cl)ccc1Cl.
What is the InChIKey of N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole?
The InChIKey is NGBVPEGPVFKEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5O.C12H7Cl2N3.C6H3Cl2NO.C5H3Cl2N/c1-10-11(6-8-15(25-10)20(22,23)24)19(30)29-16-9-7-12(21)17(28-16)18-26-13-4-2-3-5-14(13)27-18;13-7-5-6-10(14)17-11(7)12-15-8-3-1-2-4-9(8)16-12;7-4-1-2-6(8)9-5(4)3-10;6-4-1-2-5(7)8-3-4/h2-9H,1H3,(H,26,27)(H,28,29,30);1-6H,(H,15,16);1-3H;1-3H.
What are the key properties of N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole?
N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole has a molecular weight of 1019.91 g/mol, XLogP of 13.77, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2,5-dichloropyridine;3,6-dichloropyridine-2-carbaldehyde;2-(3,6-dichloro-2-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 159770776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).