1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine

C31H26Cl6N2O — CID 161434696

About 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine

1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine (PubChem CID 161434696) has the molecular formula C31H26Cl6N2O and a molecular weight of 655.28 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine.

Molecular Properties

• Compound Name: 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine
• PubChem CID: 161434696
• Molecular Formula: C31H26Cl6N2O
• Molecular Weight: 655.28 g/mol
• Exact Mass: 652.02
• IUPAC Name: 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine
• SMILES: Clc1ccc(C(c2ccc(Cl)cc2)N2CCN(CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)C2)cc1
• InChI: InChI=1S/C31H26Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-12,15-16,30-31H,13-14,17-19H2
• InChIKey: KBNIMTHPFVNXPO-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.28
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine?

The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine (CID 161434696) is 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine.

What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine?

The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine is Clc1ccc(C(c2ccc(Cl)cc2)N2CCN(CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)C2)cc1.

What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine?

The InChIKey is KBNIMTHPFVNXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-12,15-16,30-31H,13-14,17-19H2.

What are the key properties of 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine?

1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine has a molecular weight of 655.28 g/mol, XLogP of 10.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine is sourced from PubChem (CID 161434696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).