3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C63H49Cl3F6N12O — CID 158759814

IUPAC3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(CNc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1CNc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H14ClF3N4O.C21H16ClF3N4.C21H19ClN4/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19;1-12-13(6-9-19(27-12)21(23,24)25)11-26-14-7-8-16(22)15(10-14)20-28-17-4-2-3-5-18(17)29-20;1-13-7-8-15(14(2)24-13)12-23-16-9-10-18(22)17(11-16)21-25-19-5-3-4-6-20(19)26-21/h2-10H,1H3,(H,27,30)(H,28,29);2-10,26H,11H2,1H3,(H,28,29);3-11,23H,12H2,1-2H3,(H,25,26)
InChIKeyIONFGUPOAFQEOT-UHFFFAOYSA-N
MW1210.51 g/mol
LogP17.58
Rot. Bonds11

About 3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158759814) has the molecular formula C63H49Cl3F6N12O and a molecular weight of 1210.51 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID158759814
Molecular FormulaC63H49Cl3F6N12O
Molecular Weight1210.51 g/mol
Exact Mass1208.31
IUPAC Name3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(CNc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1CNc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H14ClF3N4O.C21H16ClF3N4.C21H19ClN4/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19;1-12-13(6-9-19(27-12)21(23,24)25)11-26-14-7-8-16(22)15(10-14)20-28-17-4-2-3-5-18(17)29-20;1-13-7-8-15(14(2)24-13)12-23-16-9-10-18(22)17(11-16)21-25-19-5-3-4-6-20(19)26-21/h2-10H,1H3,(H,27,30)(H,28,29);2-10,26H,11H2,1H3,(H,28,29);3-11,23H,12H2,1-2H3,(H,25,26)
InChIKeyIONFGUPOAFQEOT-UHFFFAOYSA-N
XLogP17.58
TPSA177.87 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001210.51
LogP ≤ 517.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide 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

N-(3-(1H-benzo[d]imidazol-2-yl)-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 11502886
N-(4-chloro-3-(1-methyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 11525105
N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11526178
N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11539982
N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11540385
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-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11569086
N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11576325
N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11576342
N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11576739
N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11577494
N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11605671

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 158759814) is 3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(CNc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1CNc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IONFGUPOAFQEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O.C21H16ClF3N4.C21H19ClN4/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19;1-12-13(6-9-19(27-12)21(23,24)25)11-26-14-7-8-16(22)15(10-14)20-28-17-4-2-3-5-18(17)29-20;1-13-7-8-15(14(2)24-13)12-23-16-9-10-18(22)17(11-16)21-25-19-5-3-4-6-20(19)26-21/h2-10H,1H3,(H,27,30)(H,28,29);2-10,26H,11H2,1H3,(H,28,29);3-11,23H,12H2,1-2H3,(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1210.51 g/mol, XLogP of 17.58, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-4-chloro-N-[(2,6-dimethyl-3-pyridinyl)methyl]aniline;3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158759814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).