N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide

C10H10N4O4 — CID 91901923

IUPACN-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)C1=NCCN1
InChIInChI=1S/C10H10N4O4/c15-8-5-6(14(17)18)1-2-7(8)13-10(16)9-11-3-4-12-9/h1-2,5,15H,3-4H2,(H,11,12)(H,13,16)
InChIKeyQKSAFJRQSQLYPO-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.24
Rot. Bonds3

About N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide

N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 91901923) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID91901923
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)C1=NCCN1
InChIInChI=1S/C10H10N4O4/c15-8-5-6(14(17)18)1-2-7(8)13-10(16)9-11-3-4-12-9/h1-2,5,15H,3-4H2,(H,11,12)(H,13,16)
InChIKeyQKSAFJRQSQLYPO-UHFFFAOYSA-N
XLogP0.24
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide 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

2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
CID 107743968
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide
CID 21184645
4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide
CID 107745266
1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
CID 107744191
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
CID 70210043
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
4-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107743843
4-bromo-N-(2-hydroxy-4-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480601
N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 43836606

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide (CID 91901923) is N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)C1=NCCN1.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is QKSAFJRQSQLYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-8-5-6(14(17)18)1-2-7(8)13-10(16)9-11-3-4-12-9/h1-2,5,15H,3-4H2,(H,11,12)(H,13,16).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 250.21 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91901923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).