5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide

C18H15FN4O2 — CID 46903244

IUPAC5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H15FN4O2/c1-11-5-4-6-12(9-11)22-17(24)15-16(21-10-20-15)18(25)23-14-8-3-2-7-13(14)19/h2-10H,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyJCZBDORAEMKKNS-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.36
Rot. Bonds4

About 5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide

5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 46903244) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID46903244
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H15FN4O2/c1-11-5-4-6-12(9-11)22-17(24)15-16(21-10-20-15)18(25)23-14-8-3-2-7-13(14)19/h2-10H,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyJCZBDORAEMKKNS-UHFFFAOYSA-N
XLogP3.36
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.36
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-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 46903244) is 5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide is Cc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is JCZBDORAEMKKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-11-5-4-6-12(9-11)22-17(24)15-16(21-10-20-15)18(25)23-14-8-3-2-7-13(14)19/h2-10H,1H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.36, 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-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46903244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).