N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide

C23H18FN3O — CID 129026342

IUPACN-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(Cc2ccccc2)[nH]1)c1ccccc1F
InChIInChI=1S/C23H18FN3O/c24-19-14-8-7-13-18(19)22(28)27-23-25-20(15-16-9-3-1-4-10-16)21(26-23)17-11-5-2-6-12-17/h1-14H,15H2,(H2,25,26,27,28)
InChIKeyAHHXYZVQRSTHDW-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.06
Rot. Bonds5

About N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide

N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide (PubChem CID 129026342) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide
PubChem CID129026342
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC NameN-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(Cc2ccccc2)[nH]1)c1ccccc1F
InChIInChI=1S/C23H18FN3O/c24-19-14-8-7-13-18(19)22(28)27-23-25-20(15-16-9-3-1-4-10-16)21(26-23)17-11-5-2-6-12-17/h1-14H,15H2,(H2,25,26,27,28)
InChIKeyAHHXYZVQRSTHDW-UHFFFAOYSA-N
XLogP5.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide (CID 129026342) is N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide is O=C(Nc1nc(-c2ccccc2)c(Cc2ccccc2)[nH]1)c1ccccc1F.
What is the InChIKey of N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide?
The InChIKey is AHHXYZVQRSTHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c24-19-14-8-7-13-18(19)22(28)27-23-25-20(15-16-9-3-1-4-10-16)21(26-23)17-11-5-2-6-12-17/h1-14H,15H2,(H2,25,26,27,28).
What are the key properties of N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide?
N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide has a molecular weight of 371.42 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 129026342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).