2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole

C27H18Cl4N4O — CID 24992090

IUPAC2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C27H18Cl4N4O/c1-15-23(25-33-34-26(36-25)27(12-13-27)16-2-4-17(28)5-3-16)32-24(21-11-8-19(30)14-22(21)31)35(15)20-9-6-18(29)7-10-20/h2-11,14H,12-13H2,1H3
InChIKeyQLOIMSICMGUPBB-UHFFFAOYSA-N
MW556.28 g/mol
LogP8.59
Rot. Bonds5

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

2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole (PubChem CID 24992090) has the molecular formula C27H18Cl4N4O and a molecular weight of 556.28 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole
PubChem CID24992090
Molecular FormulaC27H18Cl4N4O
Molecular Weight556.28 g/mol
Exact Mass554.02
IUPAC Name2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C27H18Cl4N4O/c1-15-23(25-33-34-26(36-25)27(12-13-27)16-2-4-17(28)5-3-16)32-24(21-11-8-19(30)14-22(21)31)35(15)20-9-6-18(29)7-10-20/h2-11,14H,12-13H2,1H3
InChIKeyQLOIMSICMGUPBB-UHFFFAOYSA-N
XLogP8.59
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.28
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole (CID 24992090) is 2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole is Cc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is QLOIMSICMGUPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl4N4O/c1-15-23(25-33-34-26(36-25)27(12-13-27)16-2-4-17(28)5-3-16)32-24(21-11-8-19(30)14-22(21)31)35(15)20-9-6-18(29)7-10-20/h2-11,14H,12-13H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole?
2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 556.28 g/mol, XLogP of 8.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 24992090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).