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

C18H15FN4O2 — CID 4736415

IUPAC5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc[nH]c1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)23-18(25)16-15(21-11-22-16)17(24)20-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,24)(H,21,22)(H,23,25)
InChIKeyRIJXWUICUIHUCH-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.73
Rot. Bonds5

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

5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 4736415) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID4736415
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc[nH]c1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)23-18(25)16-15(21-11-22-16)17(24)20-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,24)(H,21,22)(H,23,25)
InChIKeyRIJXWUICUIHUCH-UHFFFAOYSA-N
XLogP2.73
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736413
5-N-benzyl-4-N-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736412
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-[[3-(methylamino)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide
CID 145282625
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide
CID 118419689
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 118419725
5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 144936571
N-benzyl-5-methyl-1H-imidazole-4-carboxamide
CID 71320720
5-N-(2,2-dimethylpropyl)-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide;4-fluorobenzaldehyde
CID 144936548
4-N-[4-[2-(2-chloro-4-fluorophenyl)-2-oxoethyl]phenyl]-5-N-(2-fluoroethyl)-1H-imidazole-4,5-dicarboxamide
CID 153025754
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 118419604
benzyl 4-methyl-2-[[4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate
CID 73319773

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide (CID 4736415) is 5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide is O=C(Nc1ccc(F)cc1)c1nc[nH]c1C(=O)NCc1ccccc1.
What is the InChIKey of 5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is RIJXWUICUIHUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)23-18(25)16-15(21-11-22-16)17(24)20-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,24)(H,21,22)(H,23,25).
What are the key properties of 5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 4736415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).