4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid

C34H26Cl2F3N3O5S — CID 11366091

IUPAC4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
SMILESCOc1cc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)ccc1NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C34H26Cl2F3N3O5S/c1-47-31-16-25(11-14-29(31)41-48(45,46)20-34(37,38)39)23-7-2-21(3-8-23)6-15-32-40-30(27-13-12-26(35)17-28(27)36)19-42(32)18-22-4-9-24(10-5-22)33(43)44/h2-17,19,41H,18,20H2,1H3,(H,43,44)/b15-6+
InChIKeyBYCCHCPRJOMUHP-GIDUJCDVSA-N
MW716.57 g/mol
LogP8.75
Rot. Bonds11

About 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid

4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid (PubChem CID 11366091) has the molecular formula C34H26Cl2F3N3O5S and a molecular weight of 716.57 g/mol. Its IUPAC name is 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
PubChem CID11366091
Molecular FormulaC34H26Cl2F3N3O5S
Molecular Weight716.57 g/mol
Exact Mass715.09
IUPAC Name4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
SMILESCOc1cc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)ccc1NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C34H26Cl2F3N3O5S/c1-47-31-16-25(11-14-29(31)41-48(45,46)20-34(37,38)39)23-7-2-21(3-8-23)6-15-32-40-30(27-13-12-26(35)17-28(27)36)19-42(32)18-22-4-9-24(10-5-22)33(43)44/h2-17,19,41H,18,20H2,1H3,(H,43,44)/b15-6+
InChIKeyBYCCHCPRJOMUHP-GIDUJCDVSA-N
XLogP8.75
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.57
LogP ≤ 58.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid 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 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid?
The IUPAC name of 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid (CID 11366091) is 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid is COc1cc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)ccc1NS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid?
The InChIKey is BYCCHCPRJOMUHP-GIDUJCDVSA-N. The full InChI is InChI=1S/C34H26Cl2F3N3O5S/c1-47-31-16-25(11-14-29(31)41-48(45,46)20-34(37,38)39)23-7-2-21(3-8-23)6-15-32-40-30(27-13-12-26(35)17-28(27)36)19-42(32)18-22-4-9-24(10-5-22)33(43)44/h2-17,19,41H,18,20H2,1H3,(H,43,44)/b15-6+.
What are the key properties of 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid?
4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid has a molecular weight of 716.57 g/mol, XLogP of 8.75, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 11366091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).