(E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine

C18H17ClN4 — CID 146478244

IUPAC(E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine
SMILES[H]/N=C(C)/C(=C/C)c1cnc2nc(Cl)n(Cc3ccccc3)c2c1
InChIInChI=1S/C18H17ClN4/c1-3-15(12(2)20)14-9-16-17(21-10-14)22-18(19)23(16)11-13-7-5-4-6-8-13/h3-10,20H,11H2,1-2H3/b15-3-,20-12+
InChIKeyYGNBKNIQMMZOKY-FEGQTARRSA-N
MW324.82 g/mol
LogP4.58
Rot. Bonds4

About (E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine

(E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine (PubChem CID 146478244) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is (E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine
PubChem CID146478244
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name(E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine
SMILES[H]/N=C(C)/C(=C/C)c1cnc2nc(Cl)n(Cc3ccccc3)c2c1
InChIInChI=1S/C18H17ClN4/c1-3-15(12(2)20)14-9-16-17(21-10-14)22-18(19)23(16)11-13-7-5-4-6-8-13/h3-10,20H,11H2,1-2H3/b15-3-,20-12+
InChIKeyYGNBKNIQMMZOKY-FEGQTARRSA-N
XLogP4.58
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine?
The IUPAC name of (E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine (CID 146478244) is (E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine.
What is the SMILES notation for (E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine?
The canonical SMILES for (E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine is [H]/N=C(C)/C(=C/C)c1cnc2nc(Cl)n(Cc3ccccc3)c2c1.
What is the InChIKey of (E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine?
The InChIKey is YGNBKNIQMMZOKY-FEGQTARRSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-3-15(12(2)20)14-9-16-17(21-10-14)22-18(19)23(16)11-13-7-5-4-6-8-13/h3-10,20H,11H2,1-2H3/b15-3-,20-12+.
What are the key properties of (E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine?
(E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine has a molecular weight of 324.82 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzyl-2-chloroimidazo[4,5-b]pyridin-6-yl)pent-3-en-2-imine is sourced from PubChem (CID 146478244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).