2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide

C13H14N4O4 — CID 107076623

IUPAC2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide
SMILESO=C(NCCCc1ncc[nH]1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H14N4O4/c18-12-9(3-1-4-10(12)17(20)21)13(19)16-6-2-5-11-14-7-8-15-11/h1,3-4,7-8,18H,2,5-6H2,(H,14,15)(H,16,19)
InChIKeyHLSLWVJVPVDKDN-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.39
Rot. Bonds6

About 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide

2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide (PubChem CID 107076623) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide
PubChem CID107076623
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide
SMILESO=C(NCCCc1ncc[nH]1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H14N4O4/c18-12-9(3-1-4-10(12)17(20)21)13(19)16-6-2-5-11-14-7-8-15-11/h1,3-4,7-8,18H,2,5-6H2,(H,14,15)(H,16,19)
InChIKeyHLSLWVJVPVDKDN-UHFFFAOYSA-N
XLogP1.39
TPSA121.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-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

N-[2-(1H-imidazol-2-yl)ethyl]-2-nitrobenzamide
CID 115620304
2-bromo-N-[3-(1H-imidazol-2-yl)propyl]pyridine-3-carboxamide
CID 114036178
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-2-nitrobenzamide
CID 115668378
N-but-3-ynyl-2-hydroxy-3-nitrobenzamide
CID 113264555
2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 103800076
2-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-3-nitropyridine-4-carboxamide
CID 115668438
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103800073
N-[3-(cyclopropylmethoxy)propyl]-2-hydroxy-3-nitrobenzamide
CID 103746319
N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120564
2-hydroxy-3-nitrobenzohydrazide
CID 11367606

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide (CID 107076623) is 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide is O=C(NCCCc1ncc[nH]1)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide?
The InChIKey is HLSLWVJVPVDKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c18-12-9(3-1-4-10(12)17(20)21)13(19)16-6-2-5-11-14-7-8-15-11/h1,3-4,7-8,18H,2,5-6H2,(H,14,15)(H,16,19).
What are the key properties of 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide?
2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide has a molecular weight of 290.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide is sourced from PubChem (CID 107076623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).