6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

C22H18F3N5O — CID 117084576

IUPAC6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCn1c(Nc2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)n2)nc2ccccc21
InChIInChI=1S/C22H18F3N5O/c1-30-18-10-3-2-8-16(18)28-21(30)29-19-11-5-9-17(27-19)20(31)26-13-14-6-4-7-15(12-14)22(23,24)25/h2-12H,13H2,1H3,(H,26,31)(H,27,28,29)
InChIKeyRALPROYFEZHBQR-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.66
Rot. Bonds5

About 6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 117084576) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is 6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID117084576
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC Name6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCn1c(Nc2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)n2)nc2ccccc21
InChIInChI=1S/C22H18F3N5O/c1-30-18-10-3-2-8-16(18)28-21(30)29-19-11-5-9-17(27-19)20(31)26-13-14-6-4-7-15(12-14)22(23,24)25/h2-12H,13H2,1H3,(H,26,31)(H,27,28,29)
InChIKeyRALPROYFEZHBQR-UHFFFAOYSA-N
XLogP4.66
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 117083706
2-N-(1-methylbenzimidazol-2-yl)-6-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 117086804
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 24536944
2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052829
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide
CID 154851273
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 117088422
2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 83976141
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
methyl N-[6-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylcarbamoyl]-2-pyridinyl]carbamate
CID 59406385

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide (CID 117084576) is 6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide is Cn1c(Nc2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)n2)nc2ccccc21.
What is the InChIKey of 6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is RALPROYFEZHBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c1-30-18-10-3-2-8-16(18)28-21(30)29-19-11-5-9-17(27-19)20(31)26-13-14-6-4-7-15(12-14)22(23,24)25/h2-12H,13H2,1H3,(H,26,31)(H,27,28,29).
What are the key properties of 6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 117084576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).