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

C12H11N5O4 — CID 4736407

IUPAC5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N5O4/c1-13-11(18)9-10(15-6-14-9)12(19)16-7-2-4-8(5-3-7)17(20)21/h2-6H,1H3,(H,13,18)(H,14,15)(H,16,19)
InChIKeyFUUCNMHIGCOWFJ-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.93
Rot. Bonds4

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

5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 4736407) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID4736407
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N5O4/c1-13-11(18)9-10(15-6-14-9)12(19)16-7-2-4-8(5-3-7)17(20)21/h2-6H,1H3,(H,13,18)(H,14,15)(H,16,19)
InChIKeyFUUCNMHIGCOWFJ-UHFFFAOYSA-N
XLogP0.93
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 134232339
4-N-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424005
4-N-[4-[(4-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424134
4-N-[4-[(2,5-dichlorothiophene-3-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424105
4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123410514
4-N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424076
4-N-(4-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736421
N-(4-methylphenyl)-5-nitro-1H-imidazole-4-carboxamide
CID 135513600
4-N-[4-[(2-chloro-5-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424146
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 104640079
4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959629

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide (CID 4736407) is 5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is FUUCNMHIGCOWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c1-13-11(18)9-10(15-6-14-9)12(19)16-7-2-4-8(5-3-7)17(20)21/h2-6H,1H3,(H,13,18)(H,14,15)(H,16,19).
What are the key properties of 5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 289.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 4736407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).