3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol

C17H16N2O — CID 136995955

IUPAC3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol
SMILESCc1ccccc1C/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C17H16N2O/c1-12-6-2-3-7-13(12)10-18-11-15-14-8-4-5-9-16(14)19-17(15)20/h2-9,11,19-20H,10H2,1H3/b18-11+
InChIKeyMURDQDLJCCLMCV-WOJGMQOQSA-N
MW264.33 g/mol
LogP3.80
Rot. Bonds3

About 3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol

3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol (PubChem CID 136995955) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol
PubChem CID136995955
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol
SMILESCc1ccccc1C/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C17H16N2O/c1-12-6-2-3-7-13(12)10-18-11-15-14-8-4-5-9-16(14)19-17(15)20/h2-9,11,19-20H,10H2,1H3/b18-11+
InChIKeyMURDQDLJCCLMCV-WOJGMQOQSA-N
XLogP3.80
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol
CID 136995957
3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol
CID 2256130
3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 2859778
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
CID 2859784
1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol
CID 136935292
3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol
CID 136783634
3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136995960
6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136996612
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 136995976
3-(cyclooctyliminomethyl)-1H-indol-2-ol
CID 2256129

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol (CID 136995955) is 3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol is Cc1ccccc1C/N=C/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol?
The InChIKey is MURDQDLJCCLMCV-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-6-2-3-7-13(12)10-18-11-15-14-8-4-5-9-16(14)19-17(15)20/h2-9,11,19-20H,10H2,1H3/b18-11+.
What are the key properties of 3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol?
3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol has a molecular weight of 264.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 136995955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).