4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide

C11H12N6O3 — CID 114271700

IUPAC4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide
SMILESCc1cc(NN)c([N+](=O)[O-])cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H12N6O3/c1-6-4-8(16-12)9(17(19)20)5-7(6)10(18)15-11-13-2-3-14-11/h2-5,16H,12H2,1H3,(H2,13,14,15,18)
InChIKeyKXRGCRDOIWWSOP-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.16
Rot. Bonds4

About 4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide

4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide (PubChem CID 114271700) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide
PubChem CID114271700
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide
SMILESCc1cc(NN)c([N+](=O)[O-])cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H12N6O3/c1-6-4-8(16-12)9(17(19)20)5-7(6)10(18)15-11-13-2-3-14-11/h2-5,16H,12H2,1H3,(H2,13,14,15,18)
InChIKeyKXRGCRDOIWWSOP-UHFFFAOYSA-N
XLogP1.16
TPSA138.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide
CID 114195920
N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
CID 65461031
2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 112580702
2-(ethylamino)-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 115936763
2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
CID 63563942
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide
CID 114271701
2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide
CID 107200538
N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide
CID 114271694
N-(4-methyl-2-nitrophenyl)-1H-imidazole-2-carboxamide
CID 110466542
N-(1H-imidazol-2-yl)-2-(methylamino)benzamide
CID 63563761
2-hydroxy-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 60968361

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide?
The IUPAC name of 4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide (CID 114271700) is 4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide.
What is the SMILES notation for 4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide?
The canonical SMILES for 4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide is Cc1cc(NN)c([N+](=O)[O-])cc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide?
The InChIKey is KXRGCRDOIWWSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-6-4-8(16-12)9(17(19)20)5-7(6)10(18)15-11-13-2-3-14-11/h2-5,16H,12H2,1H3,(H2,13,14,15,18).
What are the key properties of 4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide?
4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide has a molecular weight of 276.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide is sourced from PubChem (CID 114271700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).