2-(2-bromophenyl)-2,3-dihydro-1H-perimidine

C17H13BrN2 — CID 3122942

IUPAC2-(2-bromophenyl)-2,3-dihydro-1H-perimidine
SMILESBrc1ccccc1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C17H13BrN2/c18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(20-17)16(11)14/h1-10,17,19-20H
InChIKeyJENNJSGVTKUMQP-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.14
Rot. Bonds1

About 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine

2-(2-bromophenyl)-2,3-dihydro-1H-perimidine (PubChem CID 3122942) has the molecular formula C17H13BrN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2,3-dihydro-1H-perimidine
PubChem CID3122942
Molecular FormulaC17H13BrN2
Molecular Weight325.21 g/mol
Exact Mass324.03
IUPAC Name2-(2-bromophenyl)-2,3-dihydro-1H-perimidine
SMILESBrc1ccccc1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C17H13BrN2/c18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(20-17)16(11)14/h1-10,17,19-20H
InChIKeyJENNJSGVTKUMQP-UHFFFAOYSA-N
XLogP5.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine (CID 3122942) is 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine is Brc1ccccc1C1Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is JENNJSGVTKUMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2/c18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(20-17)16(11)14/h1-10,17,19-20H.
What are the key properties of 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine?
2-(2-bromophenyl)-2,3-dihydro-1H-perimidine has a molecular weight of 325.21 g/mol, XLogP of 5.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 3122942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).