1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride

C33H43Cl3N4O2 — CID 67738813

About 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride

1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride (PubChem CID 67738813) has the molecular formula C33H43Cl3N4O2 and a molecular weight of 634.09 g/mol. Its IUPAC name is 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride.

Molecular Properties

• Compound Name: 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride
• PubChem CID: 67738813
• Molecular Formula: C33H43Cl3N4O2
• Molecular Weight: 634.09 g/mol
• Exact Mass: 632.25
• IUPAC Name: 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride
• SMILES: COc1ccccc1C(c1ccccc1OC)C(c1nc(-c2ccccc2)[nH]c1C)(C(C)C)N1CCNCC1.Cl.Cl.Cl
• InChI: InChI=1S/C33H40N4O2.3ClH/c1-23(2)33(37-21-19-34-20-22-37,31-24(3)35-32(36-31)25-13-7-6-8-14-25)30(26-15-9-11-17-28(26)38-4)27-16-10-12-18-29(27)39-5;;;/h6-18,23,30,34H,19-22H2,1-5H3,(H,35,36);3*1H
• InChIKey: MERZQOGBRYGPAH-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 62.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.09
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride?

The IUPAC name of 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride (CID 67738813) is 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride.

What is the SMILES notation for 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride?

The canonical SMILES for 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride is COc1ccccc1C(c1ccccc1OC)C(c1nc(-c2ccccc2)[nH]c1C)(C(C)C)N1CCNCC1.Cl.Cl.Cl.

What is the InChIKey of 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride?

The InChIKey is MERZQOGBRYGPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O2.3ClH/c1-23(2)33(37-21-19-34-20-22-37,31-24(3)35-32(36-31)25-13-7-6-8-14-25)30(26-15-9-11-17-28(26)38-4)27-16-10-12-18-29(27)39-5;;;/h6-18,23,30,34H,19-22H2,1-5H3,(H,35,36);3*1H.

What are the key properties of 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride?

1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride has a molecular weight of 634.09 g/mol, XLogP of 7.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride is sourced from PubChem (CID 67738813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).