(Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine

C12H14N10O4 — CID 136828456

IUPAC(Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine
SMILESO=[N+]([O-])c1cnc(/C=N\N2CCN(/N=C\c3ncc([N+](=O)[O-])[nH]3)CC2)[nH]1
InChIInChI=1S/C12H14N10O4/c23-21(24)11-7-13-9(17-11)5-15-19-1-2-20(4-3-19)16-6-10-14-8-12(18-10)22(25)26/h5-8H,1-4H2,(H,13,17)(H,14,18)/b15-5-,16-6-
InChIKeyXBGGOBVVCUMPSN-KNBRTIFXSA-N
MW362.31 g/mol
LogP-0.07
Rot. Bonds6

About (Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine

(Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine (PubChem CID 136828456) has the molecular formula C12H14N10O4 and a molecular weight of 362.31 g/mol. Its IUPAC name is (Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine
PubChem CID136828456
Molecular FormulaC12H14N10O4
Molecular Weight362.31 g/mol
Exact Mass362.12
IUPAC Name(Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine
SMILESO=[N+]([O-])c1cnc(/C=N\N2CCN(/N=C\c3ncc([N+](=O)[O-])[nH]3)CC2)[nH]1
InChIInChI=1S/C12H14N10O4/c23-21(24)11-7-13-9(17-11)5-15-19-1-2-20(4-3-19)16-6-10-14-8-12(18-10)22(25)26/h5-8H,1-4H2,(H,13,17)(H,14,18)/b15-5-,16-6-
InChIKeyXBGGOBVVCUMPSN-KNBRTIFXSA-N
XLogP-0.07
TPSA174.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine with MolForge

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Related Compounds

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2,5-dinitro-1H-imidazole;N-methylmethanamine
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2-[(2-methyloxiran-2-yl)methyl]-5-nitro-1H-imidazole
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(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine
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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine?
The IUPAC name of (Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine (CID 136828456) is (Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine.
What is the SMILES notation for (Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine?
The canonical SMILES for (Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine is O=[N+]([O-])c1cnc(/C=N\N2CCN(/N=C\c3ncc([N+](=O)[O-])[nH]3)CC2)[nH]1.
What is the InChIKey of (Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine?
The InChIKey is XBGGOBVVCUMPSN-KNBRTIFXSA-N. The full InChI is InChI=1S/C12H14N10O4/c23-21(24)11-7-13-9(17-11)5-15-19-1-2-20(4-3-19)16-6-10-14-8-12(18-10)22(25)26/h5-8H,1-4H2,(H,13,17)(H,14,18)/b15-5-,16-6-.
What are the key properties of (Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine?
(Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine has a molecular weight of 362.31 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(5-nitro-1H-imidazol-2-yl)-N-[4-[(Z)-(5-nitro-1H-imidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine is sourced from PubChem (CID 136828456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).