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

C15H17FN4O2 — CID 46903841

IUPAC5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCCN(CC)C(=O)c1[nH]cnc1C(=O)Nc1ccccc1F
InChIInChI=1S/C15H17FN4O2/c1-3-20(4-2)15(22)13-12(17-9-18-13)14(21)19-11-8-6-5-7-10(11)16/h5-9H,3-4H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyZLAGDFZSQKCRAN-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.28
Rot. Bonds5

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

5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 46903841) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID46903841
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCCN(CC)C(=O)c1[nH]cnc1C(=O)Nc1ccccc1F
InChIInChI=1S/C15H17FN4O2/c1-3-20(4-2)15(22)13-12(17-9-18-13)14(21)19-11-8-6-5-7-10(11)16/h5-9H,3-4H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyZLAGDFZSQKCRAN-UHFFFAOYSA-N
XLogP2.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide (CID 46903841) is 5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide is CCN(CC)C(=O)c1[nH]cnc1C(=O)Nc1ccccc1F.
What is the InChIKey of 5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is ZLAGDFZSQKCRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-3-20(4-2)15(22)13-12(17-9-18-13)14(21)19-11-8-6-5-7-10(11)16/h5-9H,3-4H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of 5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide?
5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-diethyl-4-N-(2-fluorophenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46903841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).