2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C20H21ClN6O — CID 58074713

About 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 58074713) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
• PubChem CID: 58074713
• Molecular Formula: C20H21ClN6O
• Molecular Weight: 396.88 g/mol
• Exact Mass: 396.15
• IUPAC Name: 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
• SMILES: CC(C)(C)c1nc2c(C(=O)NCCc3nc4ccc(Cl)cc4[nH]3)cccn2n1
• InChI: InChI=1S/C20H21ClN6O/c1-20(2,3)19-25-17-13(5-4-10-27(17)26-19)18(28)22-9-8-16-23-14-7-6-12(21)11-15(14)24-16/h4-7,10-11H,8-9H2,1-3H3,(H,22,28)(H,23,24)
• InChIKey: DBHJRQGKLZJDAE-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.88
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The IUPAC name of 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 58074713) is 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

What is the SMILES notation for 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The canonical SMILES for 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is CC(C)(C)c1nc2c(C(=O)NCCc3nc4ccc(Cl)cc4[nH]3)cccn2n1.

What is the InChIKey of 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The InChIKey is DBHJRQGKLZJDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c1-20(2,3)19-25-17-13(5-4-10-27(17)26-19)18(28)22-9-8-16-23-14-7-6-12(21)11-15(14)24-16/h4-7,10-11H,8-9H2,1-3H3,(H,22,28)(H,23,24).

What are the key properties of 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 58074713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).