1-benzhydryl-3-(1-benzofuran-2-yl)azetidine

C24H21NO — CID 67154723

IUPAC1-benzhydryl-3-(1-benzofuran-2-yl)azetidine
SMILESc1ccc(C(c2ccccc2)N2CC(c3cc4ccccc4o3)C2)cc1
InChIInChI=1S/C24H21NO/c1-3-9-18(10-4-1)24(19-11-5-2-6-12-19)25-16-21(17-25)23-15-20-13-7-8-14-22(20)26-23/h1-15,21,24H,16-17H2
InChIKeyAJESOLLBFHAXJX-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.62
Rot. Bonds4

About 1-benzhydryl-3-(1-benzofuran-2-yl)azetidine

1-benzhydryl-3-(1-benzofuran-2-yl)azetidine (PubChem CID 67154723) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-benzhydryl-3-(1-benzofuran-2-yl)azetidine.

Molecular Properties

Compound Name1-benzhydryl-3-(1-benzofuran-2-yl)azetidine
PubChem CID67154723
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name1-benzhydryl-3-(1-benzofuran-2-yl)azetidine
SMILESc1ccc(C(c2ccccc2)N2CC(c3cc4ccccc4o3)C2)cc1
InChIInChI=1S/C24H21NO/c1-3-9-18(10-4-1)24(19-11-5-2-6-12-19)25-16-21(17-25)23-15-20-13-7-8-14-22(20)26-23/h1-15,21,24H,16-17H2
InChIKeyAJESOLLBFHAXJX-UHFFFAOYSA-N
XLogP5.62
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-benzofuran
CID 12528043
1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine
CID 71560868
4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride
CID 23312202
3-(1-benzofuran-2-yl)-1-[(3,4-dimethylcyclohepta-1,4,6-trien-1-yl)-(5,6-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]azetidine
CID 123267820
3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide
CID 173415568
4-(1-benzofuran-2-yl)-1-ethylpiperidine
CID 23312291
3-(1-benzofuran-2-yl)cyclopentan-1-amine
CID 112705606
4-[1-benzofuran-2-yl(phenyl)methyl]-1,2,4-triazole
CID 57079600
1-benzhydryl-3-(3-methyl-1-benzofuran-2-yl)azetidine;3-(3-methyl-1-benzofuran-2-yl)azetidine;hydrochloride
CID 157397351
2-(dioxetan-3-yl)-1-benzofuran
CID 139777260
(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
CID 70240753
3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 13245213

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(1-benzofuran-2-yl)azetidine?
The IUPAC name of 1-benzhydryl-3-(1-benzofuran-2-yl)azetidine (CID 67154723) is 1-benzhydryl-3-(1-benzofuran-2-yl)azetidine.
What is the SMILES notation for 1-benzhydryl-3-(1-benzofuran-2-yl)azetidine?
The canonical SMILES for 1-benzhydryl-3-(1-benzofuran-2-yl)azetidine is c1ccc(C(c2ccccc2)N2CC(c3cc4ccccc4o3)C2)cc1.
What is the InChIKey of 1-benzhydryl-3-(1-benzofuran-2-yl)azetidine?
The InChIKey is AJESOLLBFHAXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-3-9-18(10-4-1)24(19-11-5-2-6-12-19)25-16-21(17-25)23-15-20-13-7-8-14-22(20)26-23/h1-15,21,24H,16-17H2.
What are the key properties of 1-benzhydryl-3-(1-benzofuran-2-yl)azetidine?
1-benzhydryl-3-(1-benzofuran-2-yl)azetidine has a molecular weight of 339.44 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(1-benzofuran-2-yl)azetidine is sourced from PubChem (CID 67154723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).