N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine

C22H14N4O4 — CID 1014639

IUPACN-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
SMILESO=[N+]([O-])c1ccc(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn34)o2)cc1
InChIInChI=1S/C22H14N4O4/c27-26(28)16-8-6-15(7-9-16)18-11-10-17(30-18)14-23-22-21(19-4-3-13-29-19)24-20-5-1-2-12-25(20)22/h1-14H
InChIKeyYLUGBLWPEQPYRP-UHFFFAOYSA-N
MW398.38 g/mol
LogP5.51
Rot. Bonds5

About N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine

N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine (PubChem CID 1014639) has the molecular formula C22H14N4O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
PubChem CID1014639
Molecular FormulaC22H14N4O4
Molecular Weight398.38 g/mol
Exact Mass398.10
IUPAC NameN-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
SMILESO=[N+]([O-])c1ccc(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn34)o2)cc1
InChIInChI=1S/C22H14N4O4/c27-26(28)16-8-6-15(7-9-16)18-11-10-17(30-18)14-23-22-21(19-4-3-13-29-19)24-20-5-1-2-12-25(20)22/h1-14H
InChIKeyYLUGBLWPEQPYRP-UHFFFAOYSA-N
XLogP5.51
TPSA99.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine?
The IUPAC name of N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine (CID 1014639) is N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine.
What is the SMILES notation for N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine?
The canonical SMILES for N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine is O=[N+]([O-])c1ccc(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn34)o2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine?
The InChIKey is YLUGBLWPEQPYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O4/c27-26(28)16-8-6-15(7-9-16)18-11-10-17(30-18)14-23-22-21(19-4-3-13-29-19)24-20-5-1-2-12-25(20)22/h1-14H.
What are the key properties of N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine?
N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine has a molecular weight of 398.38 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(4-nitrophenyl)furan-2-yl]methanimine is sourced from PubChem (CID 1014639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).