5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide

C13H13N5O5 — CID 6426151

IUPAC5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1nc[nH]c1C(=O)NCCO
InChIInChI=1S/C13H13N5O5/c19-6-5-14-12(20)10-11(16-7-15-10)13(21)17-8-3-1-2-4-9(8)18(22)23/h1-4,7,19H,5-6H2,(H,14,20)(H,15,16)(H,17,21)
InChIKeyNMZGMGTYSOFQQH-UHFFFAOYSA-N
MW319.28 g/mol
LogP0.29
Rot. Bonds6

About 5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide

5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 6426151) has the molecular formula C13H13N5O5 and a molecular weight of 319.28 g/mol. Its IUPAC name is 5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID6426151
Molecular FormulaC13H13N5O5
Molecular Weight319.28 g/mol
Exact Mass319.09
IUPAC Name5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1nc[nH]c1C(=O)NCCO
InChIInChI=1S/C13H13N5O5/c19-6-5-14-12(20)10-11(16-7-15-10)13(21)17-8-3-1-2-4-9(8)18(22)23/h1-4,7,19H,5-6H2,(H,14,20)(H,15,16)(H,17,21)
InChIKeyNMZGMGTYSOFQQH-UHFFFAOYSA-N
XLogP0.29
TPSA150.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide 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

5-(Hydrazinocarbonyl)-N-(2-nitrophenyl)-1H-imidazole-4-carboxamide
CID 3332392
1H-Imidazole-4,5-dicarboxylic acid 4-[(4-fluoro-phenyl)-amide] 5-methylamide
CID 965337
N~5~-cyclohexyl-N~4~-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 2945303
N4-(4-Fluorophenyl)-N5-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 2947008
5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 46904181
N~4~-(4-fluorophenyl)-N~5~-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 135459331
5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid
CID 565699
5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
CID 42628353
5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 46903841
4-N-(3-chlorophenyl)-5-N-[(2R)-2-hydroxypropyl]-1H-imidazole-4,5-dicarboxamide
CID 46904056
4-N-(3-chlorophenyl)-5-N-[(2R)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide
CID 46904057
N~4~-(3-methylphenyl)-N~5~-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 2945410

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide (CID 6426151) is 5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1nc[nH]c1C(=O)NCCO.
What is the InChIKey of 5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is NMZGMGTYSOFQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O5/c19-6-5-14-12(20)10-11(16-7-15-10)13(21)17-8-3-1-2-4-9(8)18(22)23/h1-4,7,19H,5-6H2,(H,14,20)(H,15,16)(H,17,21).
What are the key properties of 5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 319.28 g/mol, XLogP of 0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-hydroxyethyl)-4-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 6426151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).