1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine

C16H17N5 — CID 118177560

IUPAC1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine
SMILES[H]/N=C(\C)n1/c(=N/[H])ccc2c1nc(C)n2Cc1ccccc1
InChIInChI=1S/C16H17N5/c1-11(17)21-15(18)9-8-14-16(21)19-12(2)20(14)10-13-6-4-3-5-7-13/h3-9,17-18H,10H2,1-2H3/b17-11+,18-15+
InChIKeyOKLDYRCYAKWHQC-OVHYJKADSA-N
MW279.35 g/mol
LogP2.52
Rot. Bonds2

About 1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine

1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine (PubChem CID 118177560) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine.

Molecular Properties

Compound Name1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine
PubChem CID118177560
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine
SMILES[H]/N=C(\C)n1/c(=N/[H])ccc2c1nc(C)n2Cc1ccccc1
InChIInChI=1S/C16H17N5/c1-11(17)21-15(18)9-8-14-16(21)19-12(2)20(14)10-13-6-4-3-5-7-13/h3-9,17-18H,10H2,1-2H3/b17-11+,18-15+
InChIKeyOKLDYRCYAKWHQC-OVHYJKADSA-N
XLogP2.52
TPSA70.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine?
The IUPAC name of 1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine (CID 118177560) is 1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine.
What is the SMILES notation for 1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine?
The canonical SMILES for 1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine is [H]/N=C(\C)n1/c(=N/[H])ccc2c1nc(C)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine?
The InChIKey is OKLDYRCYAKWHQC-OVHYJKADSA-N. The full InChI is InChI=1S/C16H17N5/c1-11(17)21-15(18)9-8-14-16(21)19-12(2)20(14)10-13-6-4-3-5-7-13/h3-9,17-18H,10H2,1-2H3/b17-11+,18-15+.
What are the key properties of 1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine?
1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine has a molecular weight of 279.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethanimidoyl-2-methylimidazo[4,5-b]pyridin-5-imine is sourced from PubChem (CID 118177560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).