N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C36H44N6OSi — CID 68898838

About N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 68898838) has the molecular formula C36H44N6OSi and a molecular weight of 604.88 g/mol. Its IUPAC name is N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 68898838
• Molecular Formula: C36H44N6OSi
• Molecular Weight: 604.88 g/mol
• Exact Mass: 604.33
• IUPAC Name: N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: C[Si](C)(C)CCOCn1c(CN(Cc2ccc(CNc3ccccn3)cc2)C2CCCc3cccnc32)nc2ccccc21
• InChI: InChI=1S/C36H44N6OSi/c1-44(2,3)23-22-43-27-42-32-13-5-4-12-31(32)40-35(42)26-41(33-14-8-10-30-11-9-21-38-36(30)33)25-29-18-16-28(17-19-29)24-39-34-15-6-7-20-37-34/h4-7,9,11-13,15-21,33H,8,10,14,22-27H2,1-3H3,(H,37,39)
• InChIKey: CTYZWOMFBNFPBA-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.88
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 68898838) is N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is C[Si](C)(C)CCOCn1c(CN(Cc2ccc(CNc3ccccn3)cc2)C2CCCc3cccnc32)nc2ccccc21.

What is the InChIKey of N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is CTYZWOMFBNFPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N6OSi/c1-44(2,3)23-22-43-27-42-32-13-5-4-12-31(32)40-35(42)26-41(33-14-8-10-30-11-9-21-38-36(30)33)25-29-18-16-28(17-19-29)24-39-34-15-6-7-20-37-34/h4-7,9,11-13,15-21,33H,8,10,14,22-27H2,1-3H3,(H,37,39).

What are the key properties of N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 604.88 g/mol, XLogP of 7.83, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 68898838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).