1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine

C25H24BrNO — CID 22451505

IUPAC1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine
SMILESBrc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c2c1CCC2
InChIInChI=1S/C25H24BrNO/c26-23-14-15-24(22-13-7-12-21(22)23)28-20-16-27(17-20)25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,14-15,20,25H,7,12-13,16-17H2
InChIKeyQPJXZGITYUZNQL-UHFFFAOYSA-N
MW434.38 g/mol
LogP5.79
Rot. Bonds5

About 1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine

1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine (PubChem CID 22451505) has the molecular formula C25H24BrNO and a molecular weight of 434.38 g/mol. Its IUPAC name is 1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine.

Molecular Properties

Compound Name1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine
PubChem CID22451505
Molecular FormulaC25H24BrNO
Molecular Weight434.38 g/mol
Exact Mass433.10
IUPAC Name1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine
SMILESBrc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c2c1CCC2
InChIInChI=1S/C25H24BrNO/c26-23-14-15-24(22-13-7-12-21(22)23)28-20-16-27(17-20)25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,14-15,20,25H,7,12-13,16-17H2
InChIKeyQPJXZGITYUZNQL-UHFFFAOYSA-N
XLogP5.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.38
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine?
The IUPAC name of 1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine (CID 22451505) is 1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine.
What is the SMILES notation for 1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine?
The canonical SMILES for 1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine is Brc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c2c1CCC2.
What is the InChIKey of 1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine?
The InChIKey is QPJXZGITYUZNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrNO/c26-23-14-15-24(22-13-7-12-21(22)23)28-20-16-27(17-20)25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,14-15,20,25H,7,12-13,16-17H2.
What are the key properties of 1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine?
1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine has a molecular weight of 434.38 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine is sourced from PubChem (CID 22451505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).