2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole

C25H23Cl3N4S — CID 25004074

IUPAC2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole
SMILESCc1c(-c2nnc(C3CCCCCC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H23Cl3N4S/c1-15-22(25-31-30-24(33-25)16-6-4-2-3-5-7-16)29-23(20-13-10-18(27)14-21(20)28)32(15)19-11-8-17(26)9-12-19/h8-14,16H,2-7H2,1H3
InChIKeyJTPZBCVLZHLHOA-UHFFFAOYSA-N
MW517.91 g/mol
LogP8.76
Rot. Bonds4

About 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole (PubChem CID 25004074) has the molecular formula C25H23Cl3N4S and a molecular weight of 517.91 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole
PubChem CID25004074
Molecular FormulaC25H23Cl3N4S
Molecular Weight517.91 g/mol
Exact Mass516.07
IUPAC Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole
SMILESCc1c(-c2nnc(C3CCCCCC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H23Cl3N4S/c1-15-22(25-31-30-24(33-25)16-6-4-2-3-5-7-16)29-23(20-13-10-18(27)14-21(20)28)32(15)19-11-8-17(26)9-12-19/h8-14,16H,2-7H2,1H3
InChIKeyJTPZBCVLZHLHOA-UHFFFAOYSA-N
XLogP8.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.91
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole 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-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole (CID 25004074) is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole is Cc1c(-c2nnc(C3CCCCCC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole?
The InChIKey is JTPZBCVLZHLHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N4S/c1-15-22(25-31-30-24(33-25)16-6-4-2-3-5-7-16)29-23(20-13-10-18(27)14-21(20)28)32(15)19-11-8-17(26)9-12-19/h8-14,16H,2-7H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole?
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole has a molecular weight of 517.91 g/mol, XLogP of 8.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cycloheptyl-1,3,4-thiadiazole is sourced from PubChem (CID 25004074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).