N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C23H32N4OSi — CID 69207401

About N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 69207401) has the molecular formula C23H32N4OSi and a molecular weight of 408.62 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 69207401
• Molecular Formula: C23H32N4OSi
• Molecular Weight: 408.62 g/mol
• Exact Mass: 408.23
• IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: C[Si](C)(C)CCOCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
• InChI: InChI=1S/C23H32N4OSi/c1-29(2,3)15-14-28-17-27(16-22-25-19-10-4-5-11-20(19)26-22)21-12-6-8-18-9-7-13-24-23(18)21/h4-5,7,9-11,13,21H,6,8,12,14-17H2,1-3H3,(H,25,26)
• InChIKey: LACXMHALWLKEHD-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.62
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 69207401) is N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine is C[Si](C)(C)CCOCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.

What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is LACXMHALWLKEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4OSi/c1-29(2,3)15-14-28-17-27(16-22-25-19-10-4-5-11-20(19)26-22)21-12-6-8-18-9-7-13-24-23(18)21/h4-5,7,9-11,13,21H,6,8,12,14-17H2,1-3H3,(H,25,26).

What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 408.62 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 69207401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).