[2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate

C25H21FN2O2 — CID 174510797

IUPAC[2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate
SMILESCC(=O)OCc1[nH]c(C(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C25H21FN2O2/c1-17(29)30-16-22-24(20-12-14-21(26)15-13-20)28-25(27-22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16H2,1H3,(H,27,28)
InChIKeyYBBLZLFECSUHDJ-UHFFFAOYSA-N
MW400.45 g/mol
LogP5.46
Rot. Bonds6

About [2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate

[2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate (PubChem CID 174510797) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is [2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate.

Molecular Properties

Compound Name[2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate
PubChem CID174510797
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Name[2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate
SMILESCC(=O)OCc1[nH]c(C(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C25H21FN2O2/c1-17(29)30-16-22-24(20-12-14-21(26)15-13-20)28-25(27-22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16H2,1H3,(H,27,28)
InChIKeyYBBLZLFECSUHDJ-UHFFFAOYSA-N
XLogP5.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate?
The IUPAC name of [2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate (CID 174510797) is [2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate.
What is the SMILES notation for [2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate?
The canonical SMILES for [2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate is CC(=O)OCc1[nH]c(C(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of [2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate?
The InChIKey is YBBLZLFECSUHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2/c1-17(29)30-16-22-24(20-12-14-21(26)15-13-20)28-25(27-22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16H2,1H3,(H,27,28).
What are the key properties of [2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate?
[2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate has a molecular weight of 400.45 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate is sourced from PubChem (CID 174510797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).