2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine

C18H15BrN2O — CID 980264

IUPAC2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCOc1ccc(Br)cc1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C18H15BrN2O/c1-22-16-9-8-12(19)10-13(16)18-20-14-6-2-4-11-5-3-7-15(21-18)17(11)14/h2-10,18,20-21H,1H3
InChIKeyLPBZRZDSWDWZGC-UHFFFAOYSA-N
MW355.24 g/mol
LogP5.15
Rot. Bonds2

About 2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine

2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine (PubChem CID 980264) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine
PubChem CID980264
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCOc1ccc(Br)cc1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C18H15BrN2O/c1-22-16-9-8-12(19)10-13(16)18-20-14-6-2-4-11-5-3-7-15(21-18)17(11)14/h2-10,18,20-21H,1H3
InChIKeyLPBZRZDSWDWZGC-UHFFFAOYSA-N
XLogP5.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.24
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-methoxyphenyl)aziridine
CID 82473824
2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenoxy]acetonitrile
CID 54857414
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
2-[4-[2-(4-bromophenoxy)ethoxy]-3-ethoxyphenyl]-2,3-dihydro-1H-perimidine
CID 54857494
3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82134395
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82160176
(3aS,4R,9bS)-4-(5-bromo-2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6969702
2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 70100065
2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol
CID 71264985
2-(3-bromo-4-phenylmethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 54857545
(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 1169303
5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 660794

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine (CID 980264) is 2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine is COc1ccc(Br)cc1C1Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is LPBZRZDSWDWZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c1-22-16-9-8-12(19)10-13(16)18-20-14-6-2-4-11-5-3-7-15(21-18)17(11)14/h2-10,18,20-21H,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine?
2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine has a molecular weight of 355.24 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 980264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).