2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide

C10H10N6O3 — CID 112580702

IUPAC2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide
SMILESNNc1c(C(=O)Nc2ncc[nH]2)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O3/c11-15-8-6(2-1-3-7(8)16(18)19)9(17)14-10-12-4-5-13-10/h1-5,15H,11H2,(H2,12,13,14,17)
InChIKeyZDTRTMNHEJAQEA-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.86
Rot. Bonds4

About 2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide

2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide (PubChem CID 112580702) has the molecular formula C10H10N6O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide
PubChem CID112580702
Molecular FormulaC10H10N6O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide
SMILESNNc1c(C(=O)Nc2ncc[nH]2)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O3/c11-15-8-6(2-1-3-7(8)16(18)19)9(17)14-10-12-4-5-13-10/h1-5,15H,11H2,(H2,12,13,14,17)
InChIKeyZDTRTMNHEJAQEA-UHFFFAOYSA-N
XLogP0.86
TPSA138.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.86
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

2-(ethylamino)-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 115936763
2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide
CID 115937008
4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide
CID 114271700
N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
CID 65461031
N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide
CID 115937226
2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 115937021
2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide
CID 114914479
2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
CID 113355013
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide
CID 60764792
N-(1H-imidazol-2-yl)-2-(methylamino)benzamide
CID 63563761

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide (CID 112580702) is 2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide is NNc1c(C(=O)Nc2ncc[nH]2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide?
The InChIKey is ZDTRTMNHEJAQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3/c11-15-8-6(2-1-3-7(8)16(18)19)9(17)14-10-12-4-5-13-10/h1-5,15H,11H2,(H2,12,13,14,17).
What are the key properties of 2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide?
2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide has a molecular weight of 262.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide is sourced from PubChem (CID 112580702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).