2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide

C37H29Cl2N3O2 — CID 136658753

About 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide

2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 136658753) has the molecular formula C37H29Cl2N3O2 and a molecular weight of 618.56 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
• PubChem CID: 136658753
• Molecular Formula: C37H29Cl2N3O2
• Molecular Weight: 618.56 g/mol
• Exact Mass: 617.16
• IUPAC Name: 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
• SMILES: CC(NC(=O)Cn1cc(-c2ccc(Cl)cc2Cl)nc1C=Cc1ccc(-c2ccc(O)cc2)cc1)c1cccc2ccccc12
• InChI: InChI=1S/C37H29Cl2N3O2/c1-24(31-8-4-6-28-5-2-3-7-32(28)31)40-37(44)23-42-22-35(33-19-16-29(38)21-34(33)39)41-36(42)20-11-25-9-12-26(13-10-25)27-14-17-30(43)18-15-27/h2-22,24,43H,23H2,1H3,(H,40,44)
• InChIKey: CPJMKXPBJOYWDJ-UHFFFAOYSA-N
• XLogP: 9.43
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.56
LogP ≤ 5	9.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?

The IUPAC name of 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide (CID 136658753) is 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide.

What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?

The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide is CC(NC(=O)Cn1cc(-c2ccc(Cl)cc2Cl)nc1C=Cc1ccc(-c2ccc(O)cc2)cc1)c1cccc2ccccc12.

What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?

The InChIKey is CPJMKXPBJOYWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29Cl2N3O2/c1-24(31-8-4-6-28-5-2-3-7-32(28)31)40-37(44)23-42-22-35(33-19-16-29(38)21-34(33)39)41-36(42)20-11-25-9-12-26(13-10-25)27-14-17-30(43)18-15-27/h2-22,24,43H,23H2,1H3,(H,40,44).

What are the key properties of 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?

2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 618.56 g/mol, XLogP of 9.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 136658753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).