2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide

C38H41Cl2N5O — CID 25168166

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide (PubChem CID 25168166) has the molecular formula C38H41Cl2N5O and a molecular weight of 654.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide
• PubChem CID: 25168166
• Molecular Formula: C38H41Cl2N5O
• Molecular Weight: 654.69 g/mol
• Exact Mass: 653.27
• IUPAC Name: 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide
• SMILES: CCc1c(C(=O)NCCCCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
• InChI: InChI=1S/C38H41Cl2N5O/c1-2-34-36(44-37(28-14-6-9-17-31(28)40)45(34)27-22-20-26(39)21-23-27)38(46)42-25-13-5-3-4-12-24-41-35-29-15-7-10-18-32(29)43-33-19-11-8-16-30(33)35/h6-7,9-10,14-15,17-18,20-23H,2-5,8,11-13,16,19,24-25H2,1H3,(H,41,43)(H,42,46)
• InChIKey: IBNHPFJFQUFNTI-UHFFFAOYSA-N
• XLogP: 9.63
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.69
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide?

The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide (CID 25168166) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide.

What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide?

The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide is CCc1c(C(=O)NCCCCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.

What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide?

The InChIKey is IBNHPFJFQUFNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41Cl2N5O/c1-2-34-36(44-37(28-14-6-9-17-31(28)40)45(34)27-22-20-26(39)21-23-27)38(46)42-25-13-5-3-4-12-24-41-35-29-15-7-10-18-32(29)43-33-19-11-8-16-30(33)35/h6-7,9-10,14-15,17-18,20-23H,2-5,8,11-13,16,19,24-25H2,1H3,(H,41,43)(H,42,46).

What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide?

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide has a molecular weight of 654.69 g/mol, XLogP of 9.63, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide is sourced from PubChem (CID 25168166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).