N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C19H19ClN6O — CID 46938342

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(C)c1nnc2c(C(=O)NCCc3nc4ccc(Cl)cc4[nH]3)cccn12
InChIInChI=1S/C19H19ClN6O/c1-11(2)17-24-25-18-13(4-3-9-26(17)18)19(27)21-8-7-16-22-14-6-5-12(20)10-15(14)23-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyIUKSUPMOCIRHFR-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 46938342) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID46938342
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(C)c1nnc2c(C(=O)NCCc3nc4ccc(Cl)cc4[nH]3)cccn12
InChIInChI=1S/C19H19ClN6O/c1-11(2)17-24-25-18-13(4-3-9-26(17)18)19(27)21-8-7-16-22-14-6-5-12(20)10-15(14)23-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyIUKSUPMOCIRHFR-UHFFFAOYSA-N
XLogP3.35
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 46938342) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CC(C)c1nnc2c(C(=O)NCCc3nc4ccc(Cl)cc4[nH]3)cccn12.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is IUKSUPMOCIRHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-11(2)17-24-25-18-13(4-3-9-26(17)18)19(27)21-8-7-16-22-14-6-5-12(20)10-15(14)23-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,27)(H,22,23).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 382.86 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 46938342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).