2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide

C36H41N5O2 — CID 155526434

About 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide

2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide (PubChem CID 155526434) has the molecular formula C36H41N5O2 and a molecular weight of 575.76 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide
• PubChem CID: 155526434
• Molecular Formula: C36H41N5O2
• Molecular Weight: 575.76 g/mol
• Exact Mass: 575.33
• IUPAC Name: 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide
• SMILES: CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCNc2c3c(nc4ccccc24)CCCC3)cc1
• InChI: InChI=1S/C36H41N5O2/c1-4-40(5-2)36(42)26-17-20-33-32(24-26)39-34(23-25-15-18-27(19-16-25)43-6-3)41(33)22-21-37-35-28-11-7-9-13-30(28)38-31-14-10-8-12-29(31)35/h7,9,11,13,15-20,24H,4-6,8,10,12,14,21-23H2,1-3H3,(H,37,38)
• InChIKey: RUDKRUDNBKIVLP-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.76
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide?

The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide (CID 155526434) is 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide?

The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide is CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCNc2c3c(nc4ccccc24)CCCC3)cc1.

What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide?

The InChIKey is RUDKRUDNBKIVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N5O2/c1-4-40(5-2)36(42)26-17-20-33-32(24-26)39-34(23-25-15-18-27(19-16-25)43-6-3)41(33)22-21-37-35-28-11-7-9-13-30(28)38-31-14-10-8-12-29(31)35/h7,9,11,13,15-20,24H,4-6,8,10,12,14,21-23H2,1-3H3,(H,37,38).

What are the key properties of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide?

2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide has a molecular weight of 575.76 g/mol, XLogP of 7.05, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 155526434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).