3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol

C17H15BrN2O — CID 137006199

IUPAC3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
SMILESCc1ccc(/N=C/c2c(O)[nH]c3cc(C)ccc23)c(Br)c1
InChIInChI=1S/C17H15BrN2O/c1-10-4-6-15(14(18)7-10)19-9-13-12-5-3-11(2)8-16(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+
InChIKeyVVPAFWFOHKHJOE-DJKKODMXSA-N
MW343.22 g/mol
LogP5.00
Rot. Bonds2

About 3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol

3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol (PubChem CID 137006199) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
PubChem CID137006199
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
SMILESCc1ccc(/N=C/c2c(O)[nH]c3cc(C)ccc23)c(Br)c1
InChIInChI=1S/C17H15BrN2O/c1-10-4-6-15(14(18)7-10)19-9-13-12-5-3-11(2)8-16(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+
InChIKeyVVPAFWFOHKHJOE-DJKKODMXSA-N
XLogP5.00
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.22
LogP ≤ 55.00
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-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408
6-methyl-3-[(2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996645
6-chloro-3-[(2,5-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006420
6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136996612
3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006158
6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006190
5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol
CID 137006340
6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006440
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996378
3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 4195029
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol (CID 137006199) is 3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol is Cc1ccc(/N=C/c2c(O)[nH]c3cc(C)ccc23)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol?
The InChIKey is VVPAFWFOHKHJOE-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-10-4-6-15(14(18)7-10)19-9-13-12-5-3-11(2)8-16(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+.
What are the key properties of 3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol?
3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol has a molecular weight of 343.22 g/mol, XLogP of 5.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol is sourced from PubChem (CID 137006199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).