5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide

C12H14N6O3 — CID 65236539

IUPAC5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C12H14N6O3/c13-17-8-1-2-11(18(20)21)10(5-8)12(19)15-4-3-9-6-14-7-16-9/h1-2,5-7,17H,3-4,13H2,(H,14,16)(H,15,19)
InChIKeyDWQVXFIHODSWNF-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.58
Rot. Bonds6

About 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide

5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide (PubChem CID 65236539) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
PubChem CID65236539
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C12H14N6O3/c13-17-8-1-2-11(18(20)21)10(5-8)12(19)15-4-3-9-6-14-7-16-9/h1-2,5-7,17H,3-4,13H2,(H,14,16)(H,15,19)
InChIKeyDWQVXFIHODSWNF-UHFFFAOYSA-N
XLogP0.58
TPSA138.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.58
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'}

Analyze 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65232187
5-amino-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65236991
2-amino-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-3-nitrobenzamide
CID 107123230
5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
CID 115327339
5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 62243608
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64525183
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65230532
N-[2-(1H-imidazol-5-yl)ethyl]-3-methoxy-4-nitroaniline
CID 65231944
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 65236308

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide?
The IUPAC name of 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide (CID 65236539) is 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide.
What is the SMILES notation for 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide?
The canonical SMILES for 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide is NNc1ccc([N+](=O)[O-])c(C(=O)NCCc2cnc[nH]2)c1.
What is the InChIKey of 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide?
The InChIKey is DWQVXFIHODSWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c13-17-8-1-2-11(18(20)21)10(5-8)12(19)15-4-3-9-6-14-7-16-9/h1-2,5-7,17H,3-4,13H2,(H,14,16)(H,15,19).
What are the key properties of 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide?
5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide has a molecular weight of 290.28 g/mol, XLogP of 0.58, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide is sourced from PubChem (CID 65236539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).