2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide

C12H14N6O3 — CID 63293487

IUPAC2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide
SMILESCn1ccnc1CNC(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C12H14N6O3/c1-17-5-4-14-11(17)7-15-12(19)9-6-8(18(20)21)2-3-10(9)16-13/h2-6,16H,7,13H2,1H3,(H,15,19)
InChIKeyKUGDXPDYIJGNTO-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.54
Rot. Bonds5

About 2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide

2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide (PubChem CID 63293487) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide
PubChem CID63293487
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide
SMILESCn1ccnc1CNC(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C12H14N6O3/c1-17-5-4-14-11(17)7-15-12(19)9-6-8(18(20)21)2-3-10(9)16-13/h2-6,16H,7,13H2,1H3,(H,15,19)
InChIKeyKUGDXPDYIJGNTO-UHFFFAOYSA-N
XLogP0.54
TPSA128.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-methoxy-N-[(1-methylimidazol-2-yl)methyl]-4-nitroaniline
CID 62356749
2,5-difluoro-N-[(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 107122060
2,4-diamino-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63296114
2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
CID 62241467
2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60972399
2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide
CID 62237807
2-amino-4-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 79721607
2-amino-3-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 110451079
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113304577
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63293605

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide (CID 63293487) is 2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide is Cn1ccnc1CNC(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of 2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide?
The InChIKey is KUGDXPDYIJGNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-17-5-4-14-11(17)7-15-12(19)9-6-8(18(20)21)2-3-10(9)16-13/h2-6,16H,7,13H2,1H3,(H,15,19).
What are the key properties of 2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide?
2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide has a molecular weight of 290.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 63293487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).