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

C18H16BrClN2O — CID 135949185

IUPAC5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol
SMILESCc1cc(C)c(/N=C/c2[nH]c3ccc(Br)c(Cl)c3c2O)c(C)c1
InChIInChI=1S/C18H16BrClN2O/c1-9-6-10(2)17(11(3)7-9)21-8-14-18(23)15-13(22-14)5-4-12(19)16(15)20/h4-8,22-23H,1-3H3/b21-8+
InChIKeyNINWFHBYIPGEHK-ODCIPOBUSA-N
MW391.70 g/mol
LogP5.97
Rot. Bonds2

About 5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol

5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol (PubChem CID 135949185) has the molecular formula C18H16BrClN2O and a molecular weight of 391.70 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol
PubChem CID135949185
Molecular FormulaC18H16BrClN2O
Molecular Weight391.70 g/mol
Exact Mass390.01
IUPAC Name5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol
SMILESCc1cc(C)c(/N=C/c2[nH]c3ccc(Br)c(Cl)c3c2O)c(C)c1
InChIInChI=1S/C18H16BrClN2O/c1-9-6-10(2)17(11(3)7-9)21-8-14-18(23)15-13(22-14)5-4-12(19)16(15)20/h4-8,22-23H,1-3H3/b21-8+
InChIKeyNINWFHBYIPGEHK-ODCIPOBUSA-N
XLogP5.97
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.70
LogP ≤ 55.97
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-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol?
The IUPAC name of 5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol (CID 135949185) is 5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol.
What is the SMILES notation for 5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol?
The canonical SMILES for 5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol is Cc1cc(C)c(/N=C/c2[nH]c3ccc(Br)c(Cl)c3c2O)c(C)c1.
What is the InChIKey of 5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol?
The InChIKey is NINWFHBYIPGEHK-ODCIPOBUSA-N. The full InChI is InChI=1S/C18H16BrClN2O/c1-9-6-10(2)17(11(3)7-9)21-8-14-18(23)15-13(22-14)5-4-12(19)16(15)20/h4-8,22-23H,1-3H3/b21-8+.
What are the key properties of 5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol?
5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol has a molecular weight of 391.70 g/mol, XLogP of 5.97, 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-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol is sourced from PubChem (CID 135949185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).