3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol

C16H13BrN2O — CID 4792831

IUPAC3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol
SMILESCn1c(O)c(/C=N/c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C16H13BrN2O/c1-19-15-5-3-2-4-13(15)14(16(19)20)10-18-12-8-6-11(17)7-9-12/h2-10,20H,1H3/b18-10+
InChIKeyFJHVXYIFHHRYKI-VCHYOVAHSA-N
MW329.20 g/mol
LogP4.40
Rot. Bonds2

About 3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol

3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol (PubChem CID 4792831) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol.

Molecular Properties

Compound Name3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol
PubChem CID4792831
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol
SMILESCn1c(O)c(/C=N/c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C16H13BrN2O/c1-19-15-5-3-2-4-13(15)14(16(19)20)10-18-12-8-6-11(17)7-9-12/h2-10,20H,1H3/b18-10+
InChIKeyFJHVXYIFHHRYKI-VCHYOVAHSA-N
XLogP4.40
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol?
The IUPAC name of 3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol (CID 4792831) is 3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol.
What is the SMILES notation for 3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol?
The canonical SMILES for 3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol is Cn1c(O)c(/C=N/c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol?
The InChIKey is FJHVXYIFHHRYKI-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-19-15-5-3-2-4-13(15)14(16(19)20)10-18-12-8-6-11(17)7-9-12/h2-10,20H,1H3/b18-10+.
What are the key properties of 3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol?
3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol has a molecular weight of 329.20 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)iminomethyl]-1-methylindol-2-ol is sourced from PubChem (CID 4792831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).