1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one

C27H23Cl3N4O — CID 70301396

About 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one

1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one (PubChem CID 70301396) has the molecular formula C27H23Cl3N4O and a molecular weight of 525.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one
• PubChem CID: 70301396
• Molecular Formula: C27H23Cl3N4O
• Molecular Weight: 525.87 g/mol
• Exact Mass: 524.09
• IUPAC Name: 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one
• SMILES: O=C1CN(C(Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)c2cnc[nH]2)CCN1c1cccc(Cl)c1
• InChI: InChI=1S/C27H23Cl3N4O/c28-21-2-1-3-24(14-21)34-9-8-33(16-27(34)35)26(25-15-31-17-32-25)10-18-4-6-19(7-5-18)20-11-22(29)13-23(30)12-20/h1-7,11-15,17,26H,8-10,16H2,(H,31,32)
• InChIKey: FRJHXPRAWUPZIN-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.87
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one?

The IUPAC name of 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one (CID 70301396) is 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one.

What is the SMILES notation for 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one?

The canonical SMILES for 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one is O=C1CN(C(Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)c2cnc[nH]2)CCN1c1cccc(Cl)c1.

What is the InChIKey of 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one?

The InChIKey is FRJHXPRAWUPZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl3N4O/c28-21-2-1-3-24(14-21)34-9-8-33(16-27(34)35)26(25-15-31-17-32-25)10-18-4-6-19(7-5-18)20-11-22(29)13-23(30)12-20/h1-7,11-15,17,26H,8-10,16H2,(H,31,32).

What are the key properties of 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one?

1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one has a molecular weight of 525.87 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-4-[2-[4-(3,5-dichlorophenyl)phenyl]-1-(1H-imidazol-5-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 70301396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).