N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide

C19H14N8O5 — CID 22536892

IUPACN'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-]
InChIInChI=1S/C19H14N8O5/c28-16(9-12-5-7-13(8-6-12)26(29)30)23-24-18-17(27(31)32)19(21-10-20-18)25-11-22-14-3-1-2-4-15(14)25/h1-8,10-11H,9H2,(H,23,28)(H,20,21,24)
InChIKeyJGZMDYAPFMRREG-UHFFFAOYSA-N
MW434.37 g/mol
LogP2.32
Rot. Bonds7

About N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide

N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide (PubChem CID 22536892) has the molecular formula C19H14N8O5 and a molecular weight of 434.37 g/mol. Its IUPAC name is N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide
PubChem CID22536892
Molecular FormulaC19H14N8O5
Molecular Weight434.37 g/mol
Exact Mass434.11
IUPAC NameN'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-]
InChIInChI=1S/C19H14N8O5/c28-16(9-12-5-7-13(8-6-12)26(29)30)23-24-18-17(27(31)32)19(21-10-20-18)25-11-22-14-3-1-2-4-15(14)25/h1-8,10-11H,9H2,(H,23,28)(H,20,21,24)
InChIKeyJGZMDYAPFMRREG-UHFFFAOYSA-N
XLogP2.32
TPSA171.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide
CID 22536893
N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535069
N'-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537094
N'-(6-amino-5-nitropyrimidin-4-yl)-2-(4-nitrophenyl)acetohydrazide
CID 23489086
4-[[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22539102
2-methyl-N'-[5-nitro-6-[2-[2-(4-nitrophenyl)acetyl]hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535274
6-(benzimidazol-1-yl)-N-cycloheptyl-5-nitropyrimidin-4-amine
CID 22538897
6-(benzimidazol-1-yl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 22537961
6-(benzimidazol-1-yl)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 23486656
6-(benzimidazol-1-yl)-5-nitro-N-(4-phenyldiazenylphenyl)pyrimidin-4-amine
CID 22529153
2-methoxy-N'-[5-nitro-6-[2-[2-(4-nitrophenyl)acetyl]hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22536096
N'-[6-[(4-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide
CID 22536861

Frequently Asked Questions

What is the IUPAC name of N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide?
The IUPAC name of N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide (CID 22536892) is N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide.
What is the SMILES notation for N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide?
The canonical SMILES for N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide is O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide?
The InChIKey is JGZMDYAPFMRREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8O5/c28-16(9-12-5-7-13(8-6-12)26(29)30)23-24-18-17(27(31)32)19(21-10-20-18)25-11-22-14-3-1-2-4-15(14)25/h1-8,10-11H,9H2,(H,23,28)(H,20,21,24).
What are the key properties of N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide?
N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide has a molecular weight of 434.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide is sourced from PubChem (CID 22536892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).