3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol

C17H15ClN2O — CID 136995976

IUPAC3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCc1cc(C)c(/N=C/c2c(O)[nH]c3ccccc23)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-10-7-11(2)16(14(18)8-10)19-9-13-12-5-3-4-6-15(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+
InChIKeyKGNCGZJSBAXURL-DJKKODMXSA-N
MW298.77 g/mol
LogP4.89
Rot. Bonds2

About 3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol

3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 136995976) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID136995976
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCc1cc(C)c(/N=C/c2c(O)[nH]c3ccccc23)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-10-7-11(2)16(14(18)8-10)19-9-13-12-5-3-4-6-15(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+
InChIKeyKGNCGZJSBAXURL-DJKKODMXSA-N
XLogP4.89
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
6-methyl-3-[(2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996645
3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605363
3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136995955
3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 4195029
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006510
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol
CID 2256130
6-chloro-3-[(2,5-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006420
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554
6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006440

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol (CID 136995976) is 3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol is Cc1cc(C)c(/N=C/c2c(O)[nH]c3ccccc23)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is KGNCGZJSBAXURL-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-7-11(2)16(14(18)8-10)19-9-13-12-5-3-4-6-15(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+.
What are the key properties of 3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol?
3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 298.77 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 136995976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).