N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine

C8H6N4O3 — CID 641465

IUPACN-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine
SMILESO=[N+]([O-])c1ccc(C=Nn2ccnc2)o1
InChIInChI=1S/C8H6N4O3/c13-12(14)8-2-1-7(15-8)5-10-11-4-3-9-6-11/h1-6H
InChIKeyCCJWRDQDCASAIB-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.27
Rot. Bonds3

About N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine

N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine (PubChem CID 641465) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine.

Molecular Properties

Compound NameN-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine
PubChem CID641465
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC NameN-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine
SMILESO=[N+]([O-])c1ccc(C=Nn2ccnc2)o1
InChIInChI=1S/C8H6N4O3/c13-12(14)8-2-1-7(15-8)5-10-11-4-3-9-6-11/h1-6H
InChIKeyCCJWRDQDCASAIB-UHFFFAOYSA-N
XLogP1.27
TPSA86.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine 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 N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine?
The IUPAC name of N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine (CID 641465) is N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine.
What is the SMILES notation for N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine?
The canonical SMILES for N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine is O=[N+]([O-])c1ccc(C=Nn2ccnc2)o1.
What is the InChIKey of N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine?
The InChIKey is CCJWRDQDCASAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c13-12(14)8-2-1-7(15-8)5-10-11-4-3-9-6-11/h1-6H.
What are the key properties of N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine?
N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine has a molecular weight of 206.16 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazol-1-yl-1-(5-nitrofuran-2-yl)methanimine is sourced from PubChem (CID 641465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).