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

C17H12FN5O4 — CID 135459331

IUPAC4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc[nH]c1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H12FN5O4/c18-10-1-3-11(4-2-10)21-16(24)14-15(20-9-19-14)17(25)22-12-5-7-13(8-6-12)23(26)27/h1-9H,(H,19,20)(H,21,24)(H,22,25)
InChIKeyHLKAEXXJVCZHGX-UHFFFAOYSA-N
MW369.31 g/mol
LogP2.96
Rot. Bonds5

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

4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 135459331) has the molecular formula C17H12FN5O4 and a molecular weight of 369.31 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID135459331
Molecular FormulaC17H12FN5O4
Molecular Weight369.31 g/mol
Exact Mass369.09
IUPAC Name4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc[nH]c1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H12FN5O4/c18-10-1-3-11(4-2-10)21-16(24)14-15(20-9-19-14)17(25)22-12-5-7-13(8-6-12)23(26)27/h1-9H,(H,19,20)(H,21,24)(H,22,25)
InChIKeyHLKAEXXJVCZHGX-UHFFFAOYSA-N
XLogP2.96
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide (CID 135459331) is 4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide is O=C(Nc1ccc(F)cc1)c1nc[nH]c1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is HLKAEXXJVCZHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O4/c18-10-1-3-11(4-2-10)21-16(24)14-15(20-9-19-14)17(25)22-12-5-7-13(8-6-12)23(26)27/h1-9H,(H,19,20)(H,21,24)(H,22,25).
What are the key properties of 4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 369.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-5-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 135459331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).