5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide

C11H8N6O5 — CID 135539369

IUPAC5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1nc[nH]c1[N+](=O)[O-]
InChIInChI=1S/C11H8N6O5/c18-11(9-10(17(21)22)13-6-12-9)15-14-5-7-1-3-8(4-2-7)16(19)20/h1-6H,(H,12,13)(H,15,18)
InChIKeyYOQAUASYEIPVQM-UHFFFAOYSA-N
MW304.22 g/mol
LogP0.99
Rot. Bonds5

About 5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide

5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide (PubChem CID 135539369) has the molecular formula C11H8N6O5 and a molecular weight of 304.22 g/mol. Its IUPAC name is 5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide
PubChem CID135539369
Molecular FormulaC11H8N6O5
Molecular Weight304.22 g/mol
Exact Mass304.06
IUPAC Name5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1nc[nH]c1[N+](=O)[O-]
InChIInChI=1S/C11H8N6O5/c18-11(9-10(17(21)22)13-6-12-9)15-14-5-7-1-3-8(4-2-7)16(19)20/h1-6H,(H,12,13)(H,15,18)
InChIKeyYOQAUASYEIPVQM-UHFFFAOYSA-N
XLogP0.99
TPSA156.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
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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Related Compounds

N-[[4-(diethylamino)phenyl]methylideneamino]-5-nitro-1H-imidazole-4-carboxamide
CID 135444005
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitro-1H-imidazole-4-carboxamide
CID 135637254
N-[(E)-3-methylbut-2-enylideneamino]-5-nitro-1H-imidazole-4-carboxamide
CID 135714042
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 840676
5-methyl-N-[(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760769
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
CID 5373177
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide (CID 135539369) is 5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide is O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1nc[nH]c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide?
The InChIKey is YOQAUASYEIPVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O5/c18-11(9-10(17(21)22)13-6-12-9)15-14-5-7-1-3-8(4-2-7)16(19)20/h1-6H,(H,12,13)(H,15,18).
What are the key properties of 5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide?
5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide has a molecular weight of 304.22 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 135539369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).