5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole

C29H24Cl4N4S — CID 145465879

IUPAC5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole
SMILESCCCc1c(C2NN=C(C3(c4ccc(Cl)cc4)CC3)S2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C29H24Cl4N4S/c1-2-3-24-25(27-35-36-28(38-27)29(14-15-29)17-4-6-18(30)7-5-17)34-26(22-13-10-20(32)16-23(22)33)37(24)21-11-8-19(31)9-12-21/h4-13,16,27,35H,2-3,14-15H2,1H3
InChIKeyFDXABFITQDVFNQ-UHFFFAOYSA-N
MW602.42 g/mol
LogP9.49
Rot. Bonds7

About 5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole

5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 145465879) has the molecular formula C29H24Cl4N4S and a molecular weight of 602.42 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole
PubChem CID145465879
Molecular FormulaC29H24Cl4N4S
Molecular Weight602.42 g/mol
Exact Mass600.05
IUPAC Name5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole
SMILESCCCc1c(C2NN=C(C3(c4ccc(Cl)cc4)CC3)S2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C29H24Cl4N4S/c1-2-3-24-25(27-35-36-28(38-27)29(14-15-29)17-4-6-18(30)7-5-17)34-26(22-13-10-20(32)16-23(22)33)37(24)21-11-8-19(31)9-12-21/h4-13,16,27,35H,2-3,14-15H2,1H3
InChIKeyFDXABFITQDVFNQ-UHFFFAOYSA-N
XLogP9.49
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.42
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-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

Related Compounds

2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
CID 59786208
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
CID 24994958
4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine
CID 71064044
2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)imidazol-4-yl]-1,3,4-oxadiazole
CID 59786162
2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1,3,4-thiadiazole
CID 145465888
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole
CID 59786199
4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole
CID 59786164
[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone
CID 22285619
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine
CID 141103308
2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole
CID 24994325
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole
CID 24994021
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide
CID 58961385

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole (CID 145465879) is 5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole is CCCc1c(C2NN=C(C3(c4ccc(Cl)cc4)CC3)S2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is FDXABFITQDVFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl4N4S/c1-2-3-24-25(27-35-36-28(38-27)29(14-15-29)17-4-6-18(30)7-5-17)34-26(22-13-10-20(32)16-23(22)33)37(24)21-11-8-19(31)9-12-21/h4-13,16,27,35H,2-3,14-15H2,1H3.
What are the key properties of 5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole?
5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 602.42 g/mol, XLogP of 9.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)cyclopropyl]-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 145465879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).