(Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine

C14H12N4O3 — CID 5413544

IUPAC(Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine
SMILESCc1cc2ncn(/N=C\c3ccc([N+](=O)[O-])o3)c2cc1C
InChIInChI=1S/C14H12N4O3/c1-9-5-12-13(6-10(9)2)17(8-15-12)16-7-11-3-4-14(21-11)18(19)20/h3-8H,1-2H3/b16-7-
InChIKeySNJJEQAHOQSQCU-APSNUPSMSA-N
MW284.28 g/mol
LogP3.04
Rot. Bonds3

About (Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine

(Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine (PubChem CID 5413544) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine.

Molecular Properties

Compound Name(Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine
PubChem CID5413544
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name(Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine
SMILESCc1cc2ncn(/N=C\c3ccc([N+](=O)[O-])o3)c2cc1C
InChIInChI=1S/C14H12N4O3/c1-9-5-12-13(6-10(9)2)17(8-15-12)16-7-11-3-4-14(21-11)18(19)20/h3-8H,1-2H3/b16-7-
InChIKeySNJJEQAHOQSQCU-APSNUPSMSA-N
XLogP3.04
TPSA86.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.04
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 (Z)-N-(5,6-dimethylbenzimidazol-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

Related Compounds

5,6-dimethyl-1-[(5-nitrofuran-2-yl)methyl]benzimidazole
CID 115582512
(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(5-nitrofuran-2-yl)methanimine
CID 9244516
(E)-N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1-(5-nitrofuran-2-yl)methanimine
CID 15034565
(Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 7975050
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6604200
N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
CID 2732920
2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)
CID 77176029
2-acetyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one
CID 54611520
4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
CID 6248090
6,7-dimethyl-2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1424803
(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
CID 86294905
1-(3-methoxy-4,5-dimethylphenyl)-2-[(5-nitrofuran-2-yl)methylideneamino]ethanone
CID 158592782

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine?
The IUPAC name of (Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine (CID 5413544) is (Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine.
What is the SMILES notation for (Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine?
The canonical SMILES for (Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine is Cc1cc2ncn(/N=C\c3ccc([N+](=O)[O-])o3)c2cc1C.
What is the InChIKey of (Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine?
The InChIKey is SNJJEQAHOQSQCU-APSNUPSMSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-9-5-12-13(6-10(9)2)17(8-15-12)16-7-11-3-4-14(21-11)18(19)20/h3-8H,1-2H3/b16-7-.
What are the key properties of (Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine?
(Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine has a molecular weight of 284.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine is sourced from PubChem (CID 5413544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).