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

C16H12BrClN6O — CID 46937609

IUPAC2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1cccn2nc(Br)nc12
InChIInChI=1S/C16H12BrClN6O/c17-16-22-14-10(2-1-7-24(14)23-16)15(25)19-6-5-13-20-11-4-3-9(18)8-12(11)21-13/h1-4,7-8H,5-6H2,(H,19,25)(H,20,21)
InChIKeyRVIVRAGZZYNCEY-UHFFFAOYSA-N
MW419.67 g/mol
LogP2.99
Rot. Bonds4

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

2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 46937609) has the molecular formula C16H12BrClN6O and a molecular weight of 419.67 g/mol. Its IUPAC name is 2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID46937609
Molecular FormulaC16H12BrClN6O
Molecular Weight419.67 g/mol
Exact Mass417.99
IUPAC Name2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1cccn2nc(Br)nc12
InChIInChI=1S/C16H12BrClN6O/c17-16-22-14-10(2-1-7-24(14)23-16)15(25)19-6-5-13-20-11-4-3-9(18)8-12(11)21-13/h1-4,7-8H,5-6H2,(H,19,25)(H,20,21)
InChIKeyRVIVRAGZZYNCEY-UHFFFAOYSA-N
XLogP2.99
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.67
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 46937609) is 2-bromo-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-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is O=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1cccn2nc(Br)nc12.
What is the InChIKey of 2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is RVIVRAGZZYNCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN6O/c17-16-22-14-10(2-1-7-24(14)23-16)15(25)19-6-5-13-20-11-4-3-9(18)8-12(11)21-13/h1-4,7-8H,5-6H2,(H,19,25)(H,20,21).
What are the key properties of 2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 419.67 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 46937609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).