2-(4-bromophenyl)-1-methylperimidine

C18H13BrN2 — CID 3042259

IUPAC2-(4-bromophenyl)-1-methylperimidine
SMILESCN1C(c2ccc(Br)cc2)=Nc2cccc3cccc1c23
InChIInChI=1S/C18H13BrN2/c1-21-16-7-3-5-12-4-2-6-15(17(12)16)20-18(21)13-8-10-14(19)11-9-13/h2-11H,1H3
InChIKeySRZPBGYDRPCBDK-UHFFFAOYSA-N
MW337.22 g/mol
LogP5.13
Rot. Bonds1

About 2-(4-bromophenyl)-1-methylperimidine

2-(4-bromophenyl)-1-methylperimidine (PubChem CID 3042259) has the molecular formula C18H13BrN2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-methylperimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-methylperimidine
PubChem CID3042259
Molecular FormulaC18H13BrN2
Molecular Weight337.22 g/mol
Exact Mass336.03
IUPAC Name2-(4-bromophenyl)-1-methylperimidine
SMILESCN1C(c2ccc(Br)cc2)=Nc2cccc3cccc1c23
InChIInChI=1S/C18H13BrN2/c1-21-16-7-3-5-12-4-2-6-15(17(12)16)20-18(21)13-8-10-14(19)11-9-13/h2-11H,1H3
InChIKeySRZPBGYDRPCBDK-UHFFFAOYSA-N
XLogP5.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.22
LogP ≤ 55.13
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 2-(4-bromophenyl)-1-methylperimidine?
The IUPAC name of 2-(4-bromophenyl)-1-methylperimidine (CID 3042259) is 2-(4-bromophenyl)-1-methylperimidine.
What is the SMILES notation for 2-(4-bromophenyl)-1-methylperimidine?
The canonical SMILES for 2-(4-bromophenyl)-1-methylperimidine is CN1C(c2ccc(Br)cc2)=Nc2cccc3cccc1c23.
What is the InChIKey of 2-(4-bromophenyl)-1-methylperimidine?
The InChIKey is SRZPBGYDRPCBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2/c1-21-16-7-3-5-12-4-2-6-15(17(12)16)20-18(21)13-8-10-14(19)11-9-13/h2-11H,1H3.
What are the key properties of 2-(4-bromophenyl)-1-methylperimidine?
2-(4-bromophenyl)-1-methylperimidine has a molecular weight of 337.22 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-methylperimidine is sourced from PubChem (CID 3042259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).