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

C29H19Cl4N7O — CID 59786162

About 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

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 (PubChem CID 59786162) has the molecular formula C29H19Cl4N7O and a molecular weight of 623.33 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 59786162
• Molecular Formula: C29H19Cl4N7O
• Molecular Weight: 623.33 g/mol
• Exact Mass: 621.04
• IUPAC Name: 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
• SMILES: Clc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc(-c3nnc(C4(c5ccc(Cl)cc5)CC4)o3)c2Cn2cncn2)cc1
• InChI: InChI=1S/C29H19Cl4N7O/c30-18-3-1-17(2-4-18)29(11-12-29)28-38-37-27(41-28)25-24(14-39-16-34-15-35-39)40(21-8-5-19(31)6-9-21)26(36-25)22-10-7-20(32)13-23(22)33/h1-10,13,15-16H,11-12,14H2
• InChIKey: MHFMFYGLBCVDRW-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 87.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.33
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Clc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc(-c3nnc(C4(c5ccc(Cl)cc5)CC4)o3)c2Cn2cncn2)cc1.

What is the InChIKey of 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?

The InChIKey is MHFMFYGLBCVDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19Cl4N7O/c30-18-3-1-17(2-4-18)29(11-12-29)28-38-37-27(41-28)25-24(14-39-16-34-15-35-39)40(21-8-5-19(31)6-9-21)26(36-25)22-10-7-20(32)13-23(22)33/h1-10,13,15-16H,11-12,14H2.

What are the key properties of 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?

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 has a molecular weight of 623.33 g/mol, XLogP of 7.92, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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-(1,2,4-triazol-1-ylmethyl)imidazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 59786162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).