3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol

C32H31N3O3 — CID 135543830

About 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol

3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol (PubChem CID 135543830) has the molecular formula C32H31N3O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol.

Molecular Properties

• Compound Name: 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol
• PubChem CID: 135543830
• Molecular Formula: C32H31N3O3
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.24
• IUPAC Name: 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol
• SMILES: COc1cc2[nH]c(O)c(/C(=N/c3ccc(CN(C)Cc4ccccc4)cc3)c3ccccc3)c2cc1OC
• InChI: InChI=1S/C32H31N3O3/c1-35(20-22-10-6-4-7-11-22)21-23-14-16-25(17-15-23)33-31(24-12-8-5-9-13-24)30-26-18-28(37-2)29(38-3)19-27(26)34-32(30)36/h4-19,34,36H,20-21H2,1-3H3/b33-31+
• InChIKey: ILAMREIWPDOTFK-QOSDPKFLSA-N
• XLogP: 6.69
• TPSA: 70.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol?

The IUPAC name of 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol (CID 135543830) is 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol.

What is the SMILES notation for 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol?

The canonical SMILES for 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol is COc1cc2[nH]c(O)c(/C(=N/c3ccc(CN(C)Cc4ccccc4)cc3)c3ccccc3)c2cc1OC.

What is the InChIKey of 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol?

The InChIKey is ILAMREIWPDOTFK-QOSDPKFLSA-N. The full InChI is InChI=1S/C32H31N3O3/c1-35(20-22-10-6-4-7-11-22)21-23-14-16-25(17-15-23)33-31(24-12-8-5-9-13-24)30-26-18-28(37-2)29(38-3)19-27(26)34-32(30)36/h4-19,34,36H,20-21H2,1-3H3/b33-31+.

What are the key properties of 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol?

3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol has a molecular weight of 505.62 g/mol, XLogP of 6.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol is sourced from PubChem (CID 135543830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).