N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide

C10H8IN3O2 — CID 142157764

IUPACN-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide
SMILESO=C(NI)c1c[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C10H8IN3O2/c11-13-9(15)8-6-12-10(16)14(8)7-4-2-1-3-5-7/h1-6H,(H,12,16)(H,13,15)
InChIKeyZPKCFAQZYPBDDX-UHFFFAOYSA-N
MW329.10 g/mol
LogP1.25
Rot. Bonds2

About N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide

N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide (PubChem CID 142157764) has the molecular formula C10H8IN3O2 and a molecular weight of 329.10 g/mol. Its IUPAC name is N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide
PubChem CID142157764
Molecular FormulaC10H8IN3O2
Molecular Weight329.10 g/mol
Exact Mass328.97
IUPAC NameN-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide
SMILESO=C(NI)c1c[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C10H8IN3O2/c11-13-9(15)8-6-12-10(16)14(8)7-4-2-1-3-5-7/h1-6H,(H,12,16)(H,13,15)
InChIKeyZPKCFAQZYPBDDX-UHFFFAOYSA-N
XLogP1.25
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-iodo-2-oxo-3-phenyl-1H-imidazole-4-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

3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82472009
3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
4-tert-butyl-3-phenyl-1H-imidazol-2-one
CID 81446616
N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 71901610
N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473028
2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 3473471
3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylate
CID 7063948
N-[1-(2-bromophenyl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24544737
N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 29371383
3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82488622

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide (CID 142157764) is N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide is O=C(NI)c1c[nH]c(=O)n1-c1ccccc1.
What is the InChIKey of N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide?
The InChIKey is ZPKCFAQZYPBDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O2/c11-13-9(15)8-6-12-10(16)14(8)7-4-2-1-3-5-7/h1-6H,(H,12,16)(H,13,15).
What are the key properties of N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide?
N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide has a molecular weight of 329.10 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 142157764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).