N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide

C11H8Cl2N4O2 — CID 618703

IUPACN-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide
SMILESO=CNc1nc[nH]c1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2N4O2/c12-6-2-1-3-7(13)8(6)17-11(19)9-10(16-5-18)15-4-14-9/h1-5H,(H,14,15)(H,16,18)(H,17,19)
InChIKeyLOANDTGYNKXDPE-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.54
Rot. Bonds4

About N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide

N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide (PubChem CID 618703) has the molecular formula C11H8Cl2N4O2 and a molecular weight of 299.12 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide
PubChem CID618703
Molecular FormulaC11H8Cl2N4O2
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC NameN-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide
SMILESO=CNc1nc[nH]c1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2N4O2/c12-6-2-1-3-7(13)8(6)17-11(19)9-10(16-5-18)15-4-14-9/h1-5H,(H,14,15)(H,16,18)(H,17,19)
InChIKeyLOANDTGYNKXDPE-UHFFFAOYSA-N
XLogP2.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-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

4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide
CID 6423012
4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 66251830
4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 103477624
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513521
5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one
CID 136971359
N-(2,6-dichlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 113436364
N-(2,6-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390705
2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide
CID 114037407
5-[(2,6-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725320
N-(2,6-dichlorophenyl)-1H-indole-4-carboxamide
CID 65499059
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide (CID 618703) is N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide is O=CNc1nc[nH]c1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide?
The InChIKey is LOANDTGYNKXDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2/c12-6-2-1-3-7(13)8(6)17-11(19)9-10(16-5-18)15-4-14-9/h1-5H,(H,14,15)(H,16,18)(H,17,19).
What are the key properties of N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide?
N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide has a molecular weight of 299.12 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide is sourced from PubChem (CID 618703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).