1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol

C17H16N2O — CID 4792830

IUPAC1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol
SMILESCc1ccc(/N=C/c2c(O)n(C)c3ccccc23)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-13(10-8-12)18-11-15-14-5-3-4-6-16(14)19(2)17(15)20/h3-11,20H,1-2H3/b18-11+
InChIKeyXAYGDAWERYSACS-WOJGMQOQSA-N
MW264.33 g/mol
LogP3.94
Rot. Bonds2

About 1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol

1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol (PubChem CID 4792830) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol.

Molecular Properties

Compound Name1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol
PubChem CID4792830
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol
SMILESCc1ccc(/N=C/c2c(O)n(C)c3ccccc23)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-13(10-8-12)18-11-15-14-5-3-4-6-16(14)19(2)17(15)20/h3-11,20H,1-2H3/b18-11+
InChIKeyXAYGDAWERYSACS-WOJGMQOQSA-N
XLogP3.94
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol?
The IUPAC name of 1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol (CID 4792830) is 1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol.
What is the SMILES notation for 1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol?
The canonical SMILES for 1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol is Cc1ccc(/N=C/c2c(O)n(C)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol?
The InChIKey is XAYGDAWERYSACS-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-7-9-13(10-8-12)18-11-15-14-5-3-4-6-16(14)19(2)17(15)20/h3-11,20H,1-2H3/b18-11+.
What are the key properties of 1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol?
1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol has a molecular weight of 264.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methylphenyl)iminomethyl]indol-2-ol is sourced from PubChem (CID 4792830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).