2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

C25H20FN3O4S — CID 4155717

IUPAC2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(-c2ccc3c(c2)OCO3)cn1-c1ccc(F)cc1
InChIInChI=1S/C25H20FN3O4S/c1-31-21-5-3-2-4-19(21)27-24(30)14-34-25-28-20(13-29(25)18-9-7-17(26)8-10-18)16-6-11-22-23(12-16)33-15-32-22/h2-13H,14-15H2,1H3,(H,27,30)
InChIKeyFDWRJHOPJCPFBY-UHFFFAOYSA-N
MW477.52 g/mol
LogP5.15
Rot. Bonds7

About 2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 4155717) has the molecular formula C25H20FN3O4S and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID4155717
Molecular FormulaC25H20FN3O4S
Molecular Weight477.52 g/mol
Exact Mass477.12
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(-c2ccc3c(c2)OCO3)cn1-c1ccc(F)cc1
InChIInChI=1S/C25H20FN3O4S/c1-31-21-5-3-2-4-19(21)27-24(30)14-34-25-28-20(13-29(25)18-9-7-17(26)8-10-18)16-6-11-22-23(12-16)33-15-32-22/h2-13H,14-15H2,1H3,(H,27,30)
InChIKeyFDWRJHOPJCPFBY-UHFFFAOYSA-N
XLogP5.15
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide 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-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (CID 4155717) is 2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nc(-c2ccc3c(c2)OCO3)cn1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is FDWRJHOPJCPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4S/c1-31-21-5-3-2-4-19(21)27-24(30)14-34-25-28-20(13-29(25)18-9-7-17(26)8-10-18)16-6-11-22-23(12-16)33-15-32-22/h2-13H,14-15H2,1H3,(H,27,30).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 477.52 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 4155717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).