N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C24H29N7 — CID 11697340

About N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11697340) has the molecular formula C24H29N7 and a molecular weight of 415.55 g/mol. Its IUPAC name is N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 11697340
• Molecular Formula: C24H29N7
• Molecular Weight: 415.55 g/mol
• Exact Mass: 415.25
• IUPAC Name: N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CN(Cc1nc2c(CNCCc3cnc[nH]3)cccc2[nH]1)C1CCCc2cccnc21
• InChI: InChI=1S/C24H29N7/c1-31(21-9-3-5-17-7-4-11-27-24(17)21)15-22-29-20-8-2-6-18(23(20)30-22)13-25-12-10-19-14-26-16-28-19/h2,4,6-8,11,14,16,21,25H,3,5,9-10,12-13,15H2,1H3,(H,26,28)(H,29,30)
• InChIKey: FWOUHVFETOOCEE-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 85.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.55
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
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 N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 11697340) is N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1nc2c(CNCCc3cnc[nH]3)cccc2[nH]1)C1CCCc2cccnc21.

What is the InChIKey of N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is FWOUHVFETOOCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7/c1-31(21-9-3-5-17-7-4-11-27-24(17)21)15-22-29-20-8-2-6-18(23(20)30-22)13-25-12-10-19-14-26-16-28-19/h2,4,6-8,11,14,16,21,25H,3,5,9-10,12-13,15H2,1H3,(H,26,28)(H,29,30).

What are the key properties of N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 415.55 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11697340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).