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

C29H22BrCl3N4S — CID 59786208

IUPAC2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
SMILESCCCc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C29H22BrCl3N4S/c1-2-3-24-25(27-35-36-28(38-27)29(14-15-29)17-4-8-19(31)9-5-17)34-26(22-13-10-20(32)16-23(22)33)37(24)21-11-6-18(30)7-12-21/h4-13,16H,2-3,14-15H2,1H3
InChIKeyXYKCMTWFYVKLLF-UHFFFAOYSA-N
MW644.85 g/mol
LogP9.81
Rot. Bonds7

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

2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole (PubChem CID 59786208) has the molecular formula C29H22BrCl3N4S and a molecular weight of 644.85 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
PubChem CID59786208
Molecular FormulaC29H22BrCl3N4S
Molecular Weight644.85 g/mol
Exact Mass641.98
IUPAC Name2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
SMILESCCCc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C29H22BrCl3N4S/c1-2-3-24-25(27-35-36-28(38-27)29(14-15-29)17-4-8-19(31)9-5-17)34-26(22-13-10-20(32)16-23(22)33)37(24)21-11-6-18(30)7-12-21/h4-13,16H,2-3,14-15H2,1H3
InChIKeyXYKCMTWFYVKLLF-UHFFFAOYSA-N
XLogP9.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.85
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
CID 24994958
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole
CID 59786199
2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole
CID 59786154
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-[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-[5-(4-bromophenyl)-1-(2-chlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
CID 66844327
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 44570185
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
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
CID 159297926
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole
CID 69094460
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclohexyl-1,3,4-oxadiazole
CID 24994326

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole (CID 59786208) is 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole is CCCc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole?
The InChIKey is XYKCMTWFYVKLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22BrCl3N4S/c1-2-3-24-25(27-35-36-28(38-27)29(14-15-29)17-4-8-19(31)9-5-17)34-26(22-13-10-20(32)16-23(22)33)37(24)21-11-6-18(30)7-12-21/h4-13,16H,2-3,14-15H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole?
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole has a molecular weight of 644.85 g/mol, XLogP of 9.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole is sourced from PubChem (CID 59786208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).