2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole

C29H23Cl3N4S — CID 59786199

IUPAC2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole
SMILESCC(C)c1c(-c2nnc(C3(c4ccccc4)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C29H23Cl3N4S/c1-17(2)25-24(27-34-35-28(37-27)29(14-15-29)18-6-4-3-5-7-18)33-26(22-13-10-20(31)16-23(22)32)36(25)21-11-8-19(30)9-12-21/h3-13,16-17H,14-15H2,1-2H3
InChIKeyQPSGPFDUZBZGBP-UHFFFAOYSA-N
MW565.96 g/mol
LogP9.22
Rot. Bonds6

About 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole (PubChem CID 59786199) has the molecular formula C29H23Cl3N4S and a molecular weight of 565.96 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole
PubChem CID59786199
Molecular FormulaC29H23Cl3N4S
Molecular Weight565.96 g/mol
Exact Mass564.07
IUPAC Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole
SMILESCC(C)c1c(-c2nnc(C3(c4ccccc4)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C29H23Cl3N4S/c1-17(2)25-24(27-34-35-28(37-27)29(14-15-29)18-6-4-3-5-7-18)33-26(22-13-10-20(31)16-23(22)32)36(25)21-11-8-19(30)9-12-21/h3-13,16-17H,14-15H2,1-2H3
InChIKeyQPSGPFDUZBZGBP-UHFFFAOYSA-N
XLogP9.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.96
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-chlorophenyl)-5-methylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
CID 59786196
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 44570185
2-[1-(4-bromocyclohexa-2,4-dien-1-yl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
CID 71064089
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
CID 24994958
2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole
CID 59786154
2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole
CID 44570482
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
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
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
N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide
CID 11583370

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole (CID 59786199) is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole is CC(C)c1c(-c2nnc(C3(c4ccccc4)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole?
The InChIKey is QPSGPFDUZBZGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl3N4S/c1-17(2)25-24(27-34-35-28(37-27)29(14-15-29)18-6-4-3-5-7-18)33-26(22-13-10-20(31)16-23(22)32)36(25)21-11-8-19(30)9-12-21/h3-13,16-17H,14-15H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole?
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole has a molecular weight of 565.96 g/mol, XLogP of 9.22, 6 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-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 59786199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).