5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol

C16H12BrClN2O — CID 135949181

IUPAC5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol
SMILESCc1ccccc1/N=C/c1[nH]c2ccc(Br)c(Cl)c2c1O
InChIInChI=1S/C16H12BrClN2O/c1-9-4-2-3-5-11(9)19-8-13-16(21)14-12(20-13)7-6-10(17)15(14)18/h2-8,20-21H,1H3/b19-8+
InChIKeyZOZTVPAITUSOES-UFWORHAWSA-N
MW363.64 g/mol
LogP5.35
Rot. Bonds2

About 5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol

5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol (PubChem CID 135949181) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol
PubChem CID135949181
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol
SMILESCc1ccccc1/N=C/c1[nH]c2ccc(Br)c(Cl)c2c1O
InChIInChI=1S/C16H12BrClN2O/c1-9-4-2-3-5-11(9)19-8-13-16(21)14-12(20-13)7-6-10(17)15(14)18/h2-8,20-21H,1H3/b19-8+
InChIKeyZOZTVPAITUSOES-UFWORHAWSA-N
XLogP5.35
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.64
LogP ≤ 55.35
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 5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol?
The IUPAC name of 5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol (CID 135949181) is 5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol.
What is the SMILES notation for 5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol?
The canonical SMILES for 5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol is Cc1ccccc1/N=C/c1[nH]c2ccc(Br)c(Cl)c2c1O.
What is the InChIKey of 5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol?
The InChIKey is ZOZTVPAITUSOES-UFWORHAWSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-9-4-2-3-5-11(9)19-8-13-16(21)14-12(20-13)7-6-10(17)15(14)18/h2-8,20-21H,1H3/b19-8+.
What are the key properties of 5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol?
5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol has a molecular weight of 363.64 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[(2-methylphenyl)iminomethyl]-1H-indol-3-ol is sourced from PubChem (CID 135949181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).