1-(2-bromophenyl)perimidine

C17H11BrN2 — CID 97032295

IUPAC1-(2-bromophenyl)perimidine
SMILESBrc1ccccc1N1C=Nc2cccc3cccc1c23
InChIInChI=1S/C17H11BrN2/c18-13-7-1-2-9-15(13)20-11-19-14-8-3-5-12-6-4-10-16(20)17(12)14/h1-11H
InChIKeyRMIWMZQKQASPEE-UHFFFAOYSA-N
MW323.19 g/mol
LogP5.41
Rot. Bonds1

About 1-(2-bromophenyl)perimidine

1-(2-bromophenyl)perimidine (PubChem CID 97032295) has the molecular formula C17H11BrN2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)perimidine.

Molecular Properties

Compound Name1-(2-bromophenyl)perimidine
PubChem CID97032295
Molecular FormulaC17H11BrN2
Molecular Weight323.19 g/mol
Exact Mass322.01
IUPAC Name1-(2-bromophenyl)perimidine
SMILESBrc1ccccc1N1C=Nc2cccc3cccc1c23
InChIInChI=1S/C17H11BrN2/c18-13-7-1-2-9-15(13)20-11-19-14-8-3-5-12-6-4-10-16(20)17(12)14/h1-11H
InChIKeyRMIWMZQKQASPEE-UHFFFAOYSA-N
XLogP5.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.19
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)perimidine?
The IUPAC name of 1-(2-bromophenyl)perimidine (CID 97032295) is 1-(2-bromophenyl)perimidine.
What is the SMILES notation for 1-(2-bromophenyl)perimidine?
The canonical SMILES for 1-(2-bromophenyl)perimidine is Brc1ccccc1N1C=Nc2cccc3cccc1c23.
What is the InChIKey of 1-(2-bromophenyl)perimidine?
The InChIKey is RMIWMZQKQASPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2/c18-13-7-1-2-9-15(13)20-11-19-14-8-3-5-12-6-4-10-16(20)17(12)14/h1-11H.
What are the key properties of 1-(2-bromophenyl)perimidine?
1-(2-bromophenyl)perimidine has a molecular weight of 323.19 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)perimidine is sourced from PubChem (CID 97032295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).