5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C21H17F3N6O — CID 167821747

IUPAC5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)nc1C(F)(F)F
InChIInChI=1S/C21H17F3N6O/c22-21(23,24)18-14(25)8-9-16(27-18)19(31)29-20-28-15-6-1-2-7-17(15)30(20)12-10-13-5-3-4-11-26-13/h1-9,11H,10,12,25H2,(H,28,29,31)
InChIKeyJZIYMJLFSJEFGH-UHFFFAOYSA-N
MW426.40 g/mol
LogP3.92
Rot. Bonds5

About 5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167821747) has the molecular formula C21H17F3N6O and a molecular weight of 426.40 g/mol. Its IUPAC name is 5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID167821747
Molecular FormulaC21H17F3N6O
Molecular Weight426.40 g/mol
Exact Mass426.14
IUPAC Name5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)nc1C(F)(F)F
InChIInChI=1S/C21H17F3N6O/c22-21(23,24)18-14(25)8-9-16(27-18)19(31)29-20-28-15-6-1-2-7-17(15)30(20)12-10-13-5-3-4-11-26-13/h1-9,11H,10,12,25H2,(H,28,29,31)
InChIKeyJZIYMJLFSJEFGH-UHFFFAOYSA-N
XLogP3.92
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,1-difluoroethyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167807665
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-2-carboxamide
CID 167971405
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 167991259
3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 167796521
1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide
CID 167815697
4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167795718
4-(2,2-difluoroethoxy)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167956341
2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167793542
3,4-dibromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 167838423
5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide
CID 167979091
5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide
CID 167806826
2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167795641

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 167821747) is 5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Nc1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)nc1C(F)(F)F.
What is the InChIKey of 5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JZIYMJLFSJEFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O/c22-21(23,24)18-14(25)8-9-16(27-18)19(31)29-20-28-15-6-1-2-7-17(15)30(20)12-10-13-5-3-4-11-26-13/h1-9,11H,10,12,25H2,(H,28,29,31).
What are the key properties of 5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167821747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).