5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol

C19H19BrN2O — CID 137006298

IUPAC5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCC(C)(C)c1ccccc1/N=C/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C19H19BrN2O/c1-19(2,3)15-6-4-5-7-17(15)21-11-14-13-10-12(20)8-9-16(13)22-18(14)23/h4-11,22-23H,1-3H3/b21-11+
InChIKeyDHRCVUKMERVIOJ-SRZZPIQSSA-N
MW371.28 g/mol
LogP5.68
Rot. Bonds2

About 5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol

5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 137006298) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is 5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID137006298
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC Name5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCC(C)(C)c1ccccc1/N=C/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C19H19BrN2O/c1-19(2,3)15-6-4-5-7-17(15)21-11-14-13-10-12(20)8-9-16(13)22-18(14)23/h4-11,22-23H,1-3H3/b21-11+
InChIKeyDHRCVUKMERVIOJ-SRZZPIQSSA-N
XLogP5.68
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.28
LogP ≤ 55.68
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

5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol
CID 137006340
3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 4195029
5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006304
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
ethyl 4-[(5-bromo-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 137006345
methyl 2-[(5-chloro-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 136996242
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408
6-methyl-3-[(2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996645
3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 136996138
5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol
CID 137006261
3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol
CID 136996051
3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006199

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol (CID 137006298) is 5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol is CC(C)(C)c1ccccc1/N=C/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is DHRCVUKMERVIOJ-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H19BrN2O/c1-19(2,3)15-6-4-5-7-17(15)21-11-14-13-10-12(20)8-9-16(13)22-18(14)23/h4-11,22-23H,1-3H3/b21-11+.
What are the key properties of 5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol?
5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 371.28 g/mol, XLogP of 5.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 137006298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).