4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide

C11H9N5O4 — CID 6423012

IUPAC4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide
SMILESO=CNc1nc[nH]c1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H9N5O4/c17-6-14-10-9(12-5-13-10)11(18)15-7-3-1-2-4-8(7)16(19)20/h1-6H,(H,12,13)(H,14,17)(H,15,18)
InChIKeyVPBBOSHZSUFHCH-UHFFFAOYSA-N
MW275.22 g/mol
LogP1.14
Rot. Bonds5

About 4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide

4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide (PubChem CID 6423012) has the molecular formula C11H9N5O4 and a molecular weight of 275.22 g/mol. Its IUPAC name is 4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide
PubChem CID6423012
Molecular FormulaC11H9N5O4
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC Name4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide
SMILESO=CNc1nc[nH]c1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H9N5O4/c17-6-14-10-9(12-5-13-10)11(18)15-7-3-1-2-4-8(7)16(19)20/h1-6H,(H,12,13)(H,14,17)(H,15,18)
InChIKeyVPBBOSHZSUFHCH-UHFFFAOYSA-N
XLogP1.14
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736421
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408
N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79351982
N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
CID 174454415
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide
CID 19478431
3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
CID 60651008
N-(2-nitroanilino)formamide
CID 3674192

Frequently Asked Questions

What is the IUPAC name of 4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide (CID 6423012) is 4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide is O=CNc1nc[nH]c1C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide?
The InChIKey is VPBBOSHZSUFHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O4/c17-6-14-10-9(12-5-13-10)11(18)15-7-3-1-2-4-8(7)16(19)20/h1-6H,(H,12,13)(H,14,17)(H,15,18).
What are the key properties of 4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide?
4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide has a molecular weight of 275.22 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 6423012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).