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

C18H15FN4O2 — CID 895415

IUPAC4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccccc1NC(=O)c1[nH]cnc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c1-11-4-2-3-5-14(11)23-18(25)16-15(20-10-21-16)17(24)22-13-8-6-12(19)7-9-13/h2-10H,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyULAHSMGLVMBGIK-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.36
Rot. Bonds4

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

4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 895415) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID895415
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccccc1NC(=O)c1[nH]cnc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c1-11-4-2-3-5-14(11)23-18(25)16-15(20-10-21-16)17(24)22-13-8-6-12(19)7-9-13/h2-10H,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyULAHSMGLVMBGIK-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 4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 895415) is 4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide is Cc1ccccc1NC(=O)c1[nH]cnc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is ULAHSMGLVMBGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-11-4-2-3-5-14(11)23-18(25)16-15(20-10-21-16)17(24)22-13-8-6-12(19)7-9-13/h2-10H,1H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
4-N-(4-fluorophenyl)-5-N-(2-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 4-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 895415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).