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

C27H21BrCl2N4S — CID 71064089

IUPAC2-[1-(4-bromocyclohexa-2,4-dien-1-yl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
SMILESCc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)s2)nc(-c2ccccc2Cl)n1C1C=CC(Br)=CC1
InChIInChI=1S/C27H21BrCl2N4S/c1-16-23(25-32-33-26(35-25)27(14-15-27)17-6-10-19(29)11-7-17)31-24(21-4-2-3-5-22(21)30)34(16)20-12-8-18(28)9-13-20/h2-12,20H,13-15H2,1H3
InChIKeyNSINQLQXDCFPAX-UHFFFAOYSA-N
MW584.37 g/mol
LogP8.54
Rot. Bonds5

About 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

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 (PubChem CID 71064089) has the molecular formula C27H21BrCl2N4S and a molecular weight of 584.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[1-(4-bromocyclohexa-2,4-dien-1-yl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
PubChem CID71064089
Molecular FormulaC27H21BrCl2N4S
Molecular Weight584.37 g/mol
Exact Mass582.00
IUPAC Name2-[1-(4-bromocyclohexa-2,4-dien-1-yl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
SMILESCc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)s2)nc(-c2ccccc2Cl)n1C1C=CC(Br)=CC1
InChIInChI=1S/C27H21BrCl2N4S/c1-16-23(25-32-33-26(35-25)27(14-15-27)17-6-10-19(29)11-7-17)31-24(21-4-2-3-5-22(21)30)34(16)20-12-8-18(28)9-13-20/h2-12,20H,13-15H2,1H3
InChIKeyNSINQLQXDCFPAX-UHFFFAOYSA-N
XLogP8.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.37
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 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-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-propan-2-ylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-thiadiazole
CID 59786199
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
CID 59786208
2-[5-(4-bromophenyl)-1-(2-chlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
CID 66844327
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylsulfanylpyrazol-3-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
CID 45256424
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
3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole
CID 59216153
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(1-methylcyclopropyl)-1,3,4-thiadiazole
CID 66844158
3-[6-(2-chlorophenyl)-3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-triazin-5-yl]propan-1-ol
CID 24784648
3,4-dichloro-N-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 46701457
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
CID 24994958

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)s2)nc(-c2ccccc2Cl)n1C1C=CC(Br)=CC1.
What is the InChIKey of 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?
The InChIKey is NSINQLQXDCFPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrCl2N4S/c1-16-23(25-32-33-26(35-25)27(14-15-27)17-6-10-19(29)11-7-17)31-24(21-4-2-3-5-22(21)30)34(16)20-12-8-18(28)9-13-20/h2-12,20H,13-15H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 584.37 g/mol, XLogP of 8.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71064089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).