3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol

C16H12Cl2N2O — CID 2256130

IUPAC3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O/c17-11-6-5-10(14(18)7-11)8-19-9-13-12-3-1-2-4-15(12)20-16(13)21/h1-7,9,20-21H,8H2/b19-9+
InChIKeyJTWBBLIJKOOWCZ-DJKKODMXSA-N
MW319.19 g/mol
LogP4.80
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol

3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol (PubChem CID 2256130) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol
PubChem CID2256130
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O/c17-11-6-5-10(14(18)7-11)8-19-9-13-12-3-1-2-4-15(12)20-16(13)21/h1-7,9,20-21H,8H2/b19-9+
InChIKeyJTWBBLIJKOOWCZ-DJKKODMXSA-N
XLogP4.80
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.80
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-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
4-[(2,4-dichlorophenyl)methyliminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135828586
6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
CID 137006375
3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 2859778
3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 136995976
3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol
CID 2256128
3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136995960
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006440
5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol
CID 136996162
5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136996187
5-chloro-3-[[4-(hydroxymethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482145

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol (CID 2256130) is 3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=N/Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol?
The InChIKey is JTWBBLIJKOOWCZ-DJKKODMXSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-11-6-5-10(14(18)7-11)8-19-9-13-12-3-1-2-4-15(12)20-16(13)21/h1-7,9,20-21H,8H2/b19-9+.
What are the key properties of 3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol?
3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol has a molecular weight of 319.19 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 2256130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).