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

C29H41Cl2N5O3 — CID 54578547

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

1-(3,5-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride (PubChem CID 54578547) has the molecular formula C29H41Cl2N5O3 and a molecular weight of 578.59 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 1-(3,5-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
• PubChem CID: 54578547
• Molecular Formula: C29H41Cl2N5O3
• Molecular Weight: 578.59 g/mol
• Exact Mass: 577.26
• IUPAC Name: 1-(3,5-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
• SMILES: COc1cc(OC)cc(-n2c(C)nc(C(=O)NCCCN3CCN(c4cccc(C)c4C)CC3)c2C)c1.Cl.Cl
• InChI: InChI=1S/C29H39N5O3.2ClH/c1-20-9-7-10-27(21(20)2)33-15-13-32(14-16-33)12-8-11-30-29(35)28-22(3)34(23(4)31-28)24-17-25(36-5)19-26(18-24)37-6;;/h7,9-10,17-19H,8,11-16H2,1-6H3,(H,30,35);2*1H
• InChIKey: RVFJTARJNASOQS-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 71.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.59
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride (CID 54578547) is 1-(3,5-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride.

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

The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride is COc1cc(OC)cc(-n2c(C)nc(C(=O)NCCCN3CCN(c4cccc(C)c4C)CC3)c2C)c1.Cl.Cl.

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

The InChIKey is RVFJTARJNASOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O3.2ClH/c1-20-9-7-10-27(21(20)2)33-15-13-32(14-16-33)12-8-11-30-29(35)28-22(3)34(23(4)31-28)24-17-25(36-5)19-26(18-24)37-6;;/h7,9-10,17-19H,8,11-16H2,1-6H3,(H,30,35);2*1H.

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

1-(3,5-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride has a molecular weight of 578.59 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 54578547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).