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

C18H17ClN6O — CID 46937498

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCCc1nnc2c(C(=O)NCCc3nc4ccc(Cl)cc4[nH]3)cccn12
InChIInChI=1S/C18H17ClN6O/c1-2-16-23-24-17-12(4-3-9-25(16)17)18(26)20-8-7-15-21-13-6-5-11(19)10-14(13)22-15/h3-6,9-10H,2,7-8H2,1H3,(H,20,26)(H,21,22)
InChIKeyIXQIUXNQRDUGER-UHFFFAOYSA-N
MW368.83 g/mol
LogP2.79
Rot. Bonds5

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

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 46937498) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID46937498
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCCc1nnc2c(C(=O)NCCc3nc4ccc(Cl)cc4[nH]3)cccn12
InChIInChI=1S/C18H17ClN6O/c1-2-16-23-24-17-12(4-3-9-25(16)17)18(26)20-8-7-15-21-13-6-5-11(19)10-14(13)22-15/h3-6,9-10H,2,7-8H2,1H3,(H,20,26)(H,21,22)
InChIKeyIXQIUXNQRDUGER-UHFFFAOYSA-N
XLogP2.79
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 52.79
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-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 46937498) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[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-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CCc1nnc2c(C(=O)NCCc3nc4ccc(Cl)cc4[nH]3)cccn12.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is IXQIUXNQRDUGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c1-2-16-23-24-17-12(4-3-9-25(16)17)18(26)20-8-7-15-21-13-6-5-11(19)10-14(13)22-15/h3-6,9-10H,2,7-8H2,1H3,(H,20,26)(H,21,22).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 368.83 g/mol, XLogP of 2.79, 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-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 46937498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).