5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide

C17H13FN4O2 — CID 46903833

IUPAC5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccccc1)c1nc[nH]c1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H13FN4O2/c18-12-8-4-5-9-13(12)22-17(24)15-14(19-10-20-15)16(23)21-11-6-2-1-3-7-11/h1-10H,(H,19,20)(H,21,23)(H,22,24)
InChIKeyQKDKTXODPXCDET-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.05
Rot. Bonds4

About 5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide

5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 46903833) has the molecular formula C17H13FN4O2 and a molecular weight of 324.31 g/mol. Its IUPAC name is 5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
PubChem CID46903833
Molecular FormulaC17H13FN4O2
Molecular Weight324.31 g/mol
Exact Mass324.10
IUPAC Name5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccccc1)c1nc[nH]c1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H13FN4O2/c18-12-8-4-5-9-13(12)22-17(24)15-14(19-10-20-15)16(23)21-11-6-2-1-3-7-11/h1-10H,(H,19,20)(H,21,23)(H,22,24)
InChIKeyQKDKTXODPXCDET-UHFFFAOYSA-N
XLogP3.05
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide (CID 46903833) is 5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide is O=C(Nc1ccccc1)c1nc[nH]c1C(=O)Nc1ccccc1F.
What is the InChIKey of 5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is QKDKTXODPXCDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-12-8-4-5-9-13(12)22-17(24)15-14(19-10-20-15)16(23)21-11-6-2-1-3-7-11/h1-10H,(H,19,20)(H,21,23)(H,22,24).
What are the key properties of 5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 324.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46903833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).