N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline

C14H10N6O5 — CID 135562924

IUPACN-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C(\c2ncc[nH]2)c2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10N6O5/c21-19(22)9-3-4-10(11(8-9)20(23)24)17-18-13(12-2-1-7-25-12)14-15-5-6-16-14/h1-8,17H,(H,15,16)/b18-13-
InChIKeySLJJBDRRUNWAGJ-AQTBWJFISA-N
MW342.27 g/mol
LogP2.68
Rot. Bonds6

About N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline

N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline (PubChem CID 135562924) has the molecular formula C14H10N6O5 and a molecular weight of 342.27 g/mol. Its IUPAC name is N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline.

Molecular Properties

Compound NameN-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline
PubChem CID135562924
Molecular FormulaC14H10N6O5
Molecular Weight342.27 g/mol
Exact Mass342.07
IUPAC NameN-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C(\c2ncc[nH]2)c2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10N6O5/c21-19(22)9-3-4-10(11(8-9)20(23)24)17-18-13(12-2-1-7-25-12)14-15-5-6-16-14/h1-8,17H,(H,15,16)/b18-13-
InChIKeySLJJBDRRUNWAGJ-AQTBWJFISA-N
XLogP2.68
TPSA152.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
N-[[(1E,3Z,6E,8E)-1,9-bis(furan-2-yl)nona-1,3,6,8-tetraen-5-ylidene]amino]-2,4-dinitroaniline
CID 171979974
2,4-dinitro-N-[(E)-1-phenylbutan-2-ylideneamino]aniline
CID 5385748
N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2,4-dinitroaniline
CID 129439911
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
N-[bis(dimethoxyphosphoryl)methylideneamino]-2,4-dinitroaniline
CID 10455130
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide
CID 5465006
N-(4-methyl-2-nitrophenyl)-1H-imidazole-2-carboxamide
CID 110466542
(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methylbutan-2-ol
CID 13440229
N-[(E)-[(6Z)-6-[(2,4-dinitrophenyl)hydrazinylidene]heptan-2-ylidene]amino]-2,4-dinitroaniline
CID 21233704

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline?
The IUPAC name of N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline (CID 135562924) is N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline.
What is the SMILES notation for N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline?
The canonical SMILES for N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline is O=[N+]([O-])c1ccc(N/N=C(\c2ncc[nH]2)c2ccco2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline?
The InChIKey is SLJJBDRRUNWAGJ-AQTBWJFISA-N. The full InChI is InChI=1S/C14H10N6O5/c21-19(22)9-3-4-10(11(8-9)20(23)24)17-18-13(12-2-1-7-25-12)14-15-5-6-16-14/h1-8,17H,(H,15,16)/b18-13-.
What are the key properties of N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline?
N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline has a molecular weight of 342.27 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[furan-2-yl(1H-imidazol-2-yl)methylidene]amino]-2,4-dinitroaniline is sourced from PubChem (CID 135562924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).