2-methyl-N,2-diphenyl-1H-indol-3-imine

C21H18N2 — CID 135454759

IUPAC2-methyl-N,2-diphenyl-1H-indol-3-imine
SMILESCC1(c2ccccc2)Nc2ccccc2/C1=N\c1ccccc1
InChIInChI=1S/C21H18N2/c1-21(16-10-4-2-5-11-16)20(22-17-12-6-3-7-13-17)18-14-8-9-15-19(18)23-21/h2-15,23H,1H3/b22-20+
InChIKeyYKSJJIVIUQUODD-LSDHQDQOSA-N
MW298.39 g/mol
LogP5.15
Rot. Bonds2

About 2-methyl-N,2-diphenyl-1H-indol-3-imine

2-methyl-N,2-diphenyl-1H-indol-3-imine (PubChem CID 135454759) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-N,2-diphenyl-1H-indol-3-imine.

Molecular Properties

Compound Name2-methyl-N,2-diphenyl-1H-indol-3-imine
PubChem CID135454759
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name2-methyl-N,2-diphenyl-1H-indol-3-imine
SMILESCC1(c2ccccc2)Nc2ccccc2/C1=N\c1ccccc1
InChIInChI=1S/C21H18N2/c1-21(16-10-4-2-5-11-16)20(22-17-12-6-3-7-13-17)18-14-8-9-15-19(18)23-21/h2-15,23H,1H3/b22-20+
InChIKeyYKSJJIVIUQUODD-LSDHQDQOSA-N
XLogP5.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,2-diphenyl-1H-indol-3-imine?
The IUPAC name of 2-methyl-N,2-diphenyl-1H-indol-3-imine (CID 135454759) is 2-methyl-N,2-diphenyl-1H-indol-3-imine.
What is the SMILES notation for 2-methyl-N,2-diphenyl-1H-indol-3-imine?
The canonical SMILES for 2-methyl-N,2-diphenyl-1H-indol-3-imine is CC1(c2ccccc2)Nc2ccccc2/C1=N\c1ccccc1.
What is the InChIKey of 2-methyl-N,2-diphenyl-1H-indol-3-imine?
The InChIKey is YKSJJIVIUQUODD-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H18N2/c1-21(16-10-4-2-5-11-16)20(22-17-12-6-3-7-13-17)18-14-8-9-15-19(18)23-21/h2-15,23H,1H3/b22-20+.
What are the key properties of 2-methyl-N,2-diphenyl-1H-indol-3-imine?
2-methyl-N,2-diphenyl-1H-indol-3-imine has a molecular weight of 298.39 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,2-diphenyl-1H-indol-3-imine is sourced from PubChem (CID 135454759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).