5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C35H32Cl2N4O4S — CID 91040460

IUPAC5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCC(C)(C)COc1cccc(-c2ccc(Cc3nc(-c4ccc(Cl)cc4Cl)cn3-c3cccc(N4C=C(O)NS4(=O)=O)c3)cc2)c1
InChIInChI=1S/C35H32Cl2N4O4S/c1-35(2,3)22-45-29-9-4-6-25(17-29)24-12-10-23(11-13-24)16-33-38-32(30-15-14-26(36)18-31(30)37)20-40(33)27-7-5-8-28(19-27)41-21-34(42)39-46(41,43)44/h4-15,17-21,39,42H,16,22H2,1-3H3
InChIKeyBKSRTNVYMVUSEJ-UHFFFAOYSA-N
MW675.64 g/mol
LogP8.54
Rot. Bonds8

About 5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 91040460) has the molecular formula C35H32Cl2N4O4S and a molecular weight of 675.64 g/mol. Its IUPAC name is 5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID91040460
Molecular FormulaC35H32Cl2N4O4S
Molecular Weight675.64 g/mol
Exact Mass674.15
IUPAC Name5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCC(C)(C)COc1cccc(-c2ccc(Cc3nc(-c4ccc(Cl)cc4Cl)cn3-c3cccc(N4C=C(O)NS4(=O)=O)c3)cc2)c1
InChIInChI=1S/C35H32Cl2N4O4S/c1-35(2,3)22-45-29-9-4-6-25(17-29)24-12-10-23(11-13-24)16-33-38-32(30-15-14-26(36)18-31(30)37)20-40(33)27-7-5-8-28(19-27)41-21-34(42)39-46(41,43)44/h4-15,17-21,39,42H,16,22H2,1-3H3
InChIKeyBKSRTNVYMVUSEJ-UHFFFAOYSA-N
XLogP8.54
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.64
LogP ≤ 58.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 91040460) is 5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is CC(C)(C)COc1cccc(-c2ccc(Cc3nc(-c4ccc(Cl)cc4Cl)cn3-c3cccc(N4C=C(O)NS4(=O)=O)c3)cc2)c1.
What is the InChIKey of 5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is BKSRTNVYMVUSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32Cl2N4O4S/c1-35(2,3)22-45-29-9-4-6-25(17-29)24-12-10-23(11-13-24)16-33-38-32(30-15-14-26(36)18-31(30)37)20-40(33)27-7-5-8-28(19-27)41-21-34(42)39-46(41,43)44/h4-15,17-21,39,42H,16,22H2,1-3H3.
What are the key properties of 5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 675.64 g/mol, XLogP of 8.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2,4-dichlorophenyl)-2-[[4-[3-(2,2-dimethylpropoxy)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 91040460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).