N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide

C24H20FN3O — CID 122216622

IUPACN-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide
SMILESCn1c(NC(=O)c2ccccc2F)nc(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H20FN3O/c1-28-22(18-12-6-3-7-13-18)21(16-17-10-4-2-5-11-17)26-24(28)27-23(29)19-14-8-9-15-20(19)25/h2-15H,16H2,1H3,(H,26,27,29)
InChIKeyJYNXDWLGDNNDOT-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.07
Rot. Bonds5

About N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide

N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide (PubChem CID 122216622) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide
PubChem CID122216622
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC NameN-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide
SMILESCn1c(NC(=O)c2ccccc2F)nc(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H20FN3O/c1-28-22(18-12-6-3-7-13-18)21(16-17-10-4-2-5-11-17)26-24(28)27-23(29)19-14-8-9-15-20(19)25/h2-15H,16H2,1H3,(H,26,27,29)
InChIKeyJYNXDWLGDNNDOT-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.07
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-phenylimidazol-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide (CID 122216622) is N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide is Cn1c(NC(=O)c2ccccc2F)nc(Cc2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide?
The InChIKey is JYNXDWLGDNNDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-28-22(18-12-6-3-7-13-18)21(16-17-10-4-2-5-11-17)26-24(28)27-23(29)19-14-8-9-15-20(19)25/h2-15H,16H2,1H3,(H,26,27,29).
What are the key properties of N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide?
N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide has a molecular weight of 385.44 g/mol, XLogP of 5.07, 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-phenylimidazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 122216622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).