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

C25H30Cl5N5O2 — CID 67495358

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

1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride (PubChem CID 67495358) has the molecular formula C25H30Cl5N5O2 and a molecular weight of 609.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
• PubChem CID: 67495358
• Molecular Formula: C25H30Cl5N5O2
• Molecular Weight: 609.81 g/mol
• Exact Mass: 607.08
• IUPAC Name: 1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
• SMILES: Cc1nc(C(=O)NCC(O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc(Cl)cc1.Cl.Cl
• InChI: InChI=1S/C25H28Cl3N5O2.2ClH/c1-16-24(30-17(2)33(16)19-8-6-18(26)7-9-19)25(35)29-14-20(34)15-31-10-12-32(13-11-31)22-5-3-4-21(27)23(22)28;;/h3-9,20,34H,10-15H2,1-2H3,(H,29,35);2*1H
• InChIKey: ABEPUWLOINWYTP-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 73.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.81
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride (CID 67495358) is 1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride.

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

The canonical SMILES for 1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride is Cc1nc(C(=O)NCC(O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc(Cl)cc1.Cl.Cl.

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

The InChIKey is ABEPUWLOINWYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl3N5O2.2ClH/c1-16-24(30-17(2)33(16)19-8-6-18(26)7-9-19)25(35)29-14-20(34)15-31-10-12-32(13-11-31)22-5-3-4-21(27)23(22)28;;/h3-9,20,34H,10-15H2,1-2H3,(H,29,35);2*1H.

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

1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride has a molecular weight of 609.81 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 67495358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).