1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine

C32H28N4 — CID 91580370

IUPAC1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cccc2cc[nH]c12.Cc1ccccc1/N=C/c1cccc2cc[nH]c12
InChIInChI=1S/2C16H14N2/c2*1-12-5-2-3-8-15(12)18-11-14-7-4-6-13-9-10-17-16(13)14/h2*2-11,17H,1H3/b2*18-11+
InChIKeyNSSCKGNTEKUSSR-ZCAKPAPCSA-N
MW468.60 g/mol
LogP8.45
Rot. Bonds4

About 1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine

1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine (PubChem CID 91580370) has the molecular formula C32H28N4 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine
PubChem CID91580370
Molecular FormulaC32H28N4
Molecular Weight468.60 g/mol
Exact Mass468.23
IUPAC Name1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cccc2cc[nH]c12.Cc1ccccc1/N=C/c1cccc2cc[nH]c12
InChIInChI=1S/2C16H14N2/c2*1-12-5-2-3-8-15(12)18-11-14-7-4-6-13-9-10-17-16(13)14/h2*2-11,17H,1H3/b2*18-11+
InChIKeyNSSCKGNTEKUSSR-ZCAKPAPCSA-N
XLogP8.45
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 58.45
H-Bond Donors ≤ 52
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 1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine (CID 91580370) is 1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine is Cc1ccccc1/N=C/c1cccc2cc[nH]c12.Cc1ccccc1/N=C/c1cccc2cc[nH]c12.
What is the InChIKey of 1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine?
The InChIKey is NSSCKGNTEKUSSR-ZCAKPAPCSA-N. The full InChI is InChI=1S/2C16H14N2/c2*1-12-5-2-3-8-15(12)18-11-14-7-4-6-13-9-10-17-16(13)14/h2*2-11,17H,1H3/b2*18-11+.
What are the key properties of 1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine?
1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine has a molecular weight of 468.60 g/mol, XLogP of 8.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 91580370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).