N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C30H48N6O3Si2 — CID 67163688

About N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 67163688) has the molecular formula C30H48N6O3Si2 and a molecular weight of 596.93 g/mol. Its IUPAC name is N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

• Compound Name: N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
• PubChem CID: 67163688
• Molecular Formula: C30H48N6O3Si2
• Molecular Weight: 596.93 g/mol
• Exact Mass: 596.33
• IUPAC Name: N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
• SMILES: C[Si](C)(C)CCOCn1ccnc1CN(Cc1nccn1COCC[Si](C)(C)C)C(=O)c1ccc2c(c1)CCNC2
• InChI: InChI=1S/C30H48N6O3Si2/c1-40(2,3)17-15-38-23-34-13-11-32-28(34)21-36(30(37)26-7-8-27-20-31-10-9-25(27)19-26)22-29-33-12-14-35(29)24-39-16-18-41(4,5)6/h7-8,11-14,19,31H,9-10,15-18,20-24H2,1-6H3
• InChIKey: QEZZQWJAEKQGLI-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 86.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.93
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?

The IUPAC name of N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 67163688) is N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

What is the SMILES notation for N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?

The canonical SMILES for N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is C[Si](C)(C)CCOCn1ccnc1CN(Cc1nccn1COCC[Si](C)(C)C)C(=O)c1ccc2c(c1)CCNC2.

What is the InChIKey of N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?

The InChIKey is QEZZQWJAEKQGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N6O3Si2/c1-40(2,3)17-15-38-23-34-13-11-32-28(34)21-36(30(37)26-7-8-27-20-31-10-9-25(27)19-26)22-29-33-12-14-35(29)24-39-16-18-41(4,5)6/h7-8,11-14,19,31H,9-10,15-18,20-24H2,1-6H3.

What are the key properties of N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?

N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 596.93 g/mol, XLogP of 5.19, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 67163688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).