N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride

C26H33Cl4N5O2 — CID 54576362

About N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride (PubChem CID 54576362) has the molecular formula C26H33Cl4N5O2 and a molecular weight of 589.40 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
• PubChem CID: 54576362
• Molecular Formula: C26H33Cl4N5O2
• Molecular Weight: 589.40 g/mol
• Exact Mass: 587.14
• IUPAC Name: N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
• SMILES: COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C.Cl.Cl
• InChI: InChI=1S/C26H31Cl2N5O2.2ClH/c1-18-25(30-19(2)33(18)21-9-4-5-11-23(21)35-3)26(34)29-12-7-13-31-14-16-32(17-15-31)22-10-6-8-20(27)24(22)28;;/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34);2*1H
• InChIKey: JSWIZKOZMQADSZ-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 62.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.40
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride?

The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride (CID 54576362) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride.

What is the SMILES notation for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride?

The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride is COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C.Cl.Cl.

What is the InChIKey of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride?

The InChIKey is JSWIZKOZMQADSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N5O2.2ClH/c1-18-25(30-19(2)33(18)21-9-4-5-11-23(21)35-3)26(34)29-12-7-13-31-14-16-32(17-15-31)22-10-6-8-20(27)24(22)28;;/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34);2*1H.

What are the key properties of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride?

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride has a molecular weight of 589.40 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 54576362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).