3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide

C24H22BrF3N4O4S — CID 10054288

IUPAC3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(C)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1
InChIInChI=1S/C24H22BrF3N4O4S/c1-3-6-19-30-13(2)21(23(29)33)32(19)12-14-9-10-18-16(11-14)20(25)22(36-18)15-7-4-5-8-17(15)31-37(34,35)24(26,27)28/h4-5,7-11,31H,3,6,12H2,1-2H3,(H2,29,33)
InChIKeyHJQDEHNEBVJQEC-UHFFFAOYSA-N
MW599.43 g/mol
LogP5.73
Rot. Bonds8

About 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide

3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide (PubChem CID 10054288) has the molecular formula C24H22BrF3N4O4S and a molecular weight of 599.43 g/mol. Its IUPAC name is 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide
PubChem CID10054288
Molecular FormulaC24H22BrF3N4O4S
Molecular Weight599.43 g/mol
Exact Mass598.05
IUPAC Name3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(C)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1
InChIInChI=1S/C24H22BrF3N4O4S/c1-3-6-19-30-13(2)21(23(29)33)32(19)12-14-9-10-18-16(11-14)20(25)22(36-18)15-7-4-5-8-17(15)31-37(34,35)24(26,27)28/h4-5,7-11,31H,3,6,12H2,1-2H3,(H2,29,33)
InChIKeyHJQDEHNEBVJQEC-UHFFFAOYSA-N
XLogP5.73
TPSA120.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.43
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide 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 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide?
The IUPAC name of 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide (CID 10054288) is 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide.
What is the SMILES notation for 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide?
The canonical SMILES for 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide is CCCc1nc(C)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1.
What is the InChIKey of 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide?
The InChIKey is HJQDEHNEBVJQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrF3N4O4S/c1-3-6-19-30-13(2)21(23(29)33)32(19)12-14-9-10-18-16(11-14)20(25)22(36-18)15-7-4-5-8-17(15)31-37(34,35)24(26,27)28/h4-5,7-11,31H,3,6,12H2,1-2H3,(H2,29,33).
What are the key properties of 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide?
3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide has a molecular weight of 599.43 g/mol, XLogP of 5.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide is sourced from PubChem (CID 10054288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).