N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide

C25H22FN3O — CID 126765688

IUPACN-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide
SMILESCc1ccc(-c2c(Cc3ccccc3)nc(NC(=O)c3ccccc3F)n2C)cc1
InChIInChI=1S/C25H22FN3O/c1-17-12-14-19(15-13-17)23-22(16-18-8-4-3-5-9-18)27-25(29(23)2)28-24(30)20-10-6-7-11-21(20)26/h3-15H,16H2,1-2H3,(H,27,28,30)
InChIKeyRWLLSKAFNSOMGH-UHFFFAOYSA-N
MW399.47 g/mol
LogP5.38
Rot. Bonds5

About N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide

N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide (PubChem CID 126765688) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide
PubChem CID126765688
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC NameN-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide
SMILESCc1ccc(-c2c(Cc3ccccc3)nc(NC(=O)c3ccccc3F)n2C)cc1
InChIInChI=1S/C25H22FN3O/c1-17-12-14-19(15-13-17)23-22(16-18-8-4-3-5-9-18)27-25(29(23)2)28-24(30)20-10-6-7-11-21(20)26/h3-15H,16H2,1-2H3,(H,27,28,30)
InChIKeyRWLLSKAFNSOMGH-UHFFFAOYSA-N
XLogP5.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide (CID 126765688) is N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide is Cc1ccc(-c2c(Cc3ccccc3)nc(NC(=O)c3ccccc3F)n2C)cc1.
What is the InChIKey of N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide?
The InChIKey is RWLLSKAFNSOMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O/c1-17-12-14-19(15-13-17)23-22(16-18-8-4-3-5-9-18)27-25(29(23)2)28-24(30)20-10-6-7-11-21(20)26/h3-15H,16H2,1-2H3,(H,27,28,30).
What are the key properties of N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide?
N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide has a molecular weight of 399.47 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 126765688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).