(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone

C23H25NO2 — CID 22274484

IUPAC(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone
SMILESCc1ccc(C(=O)c2ccc3oc(CCN4CCCC4C)cc3c2)cc1
InChIInChI=1S/C23H25NO2/c1-16-5-7-18(8-6-16)23(25)19-9-10-22-20(14-19)15-21(26-22)11-13-24-12-3-4-17(24)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3
InChIKeyYANFQSPNBDHUOP-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.00
Rot. Bonds5

About (4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone

(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone (PubChem CID 22274484) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone
PubChem CID22274484
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone
SMILESCc1ccc(C(=O)c2ccc3oc(CCN4CCCC4C)cc3c2)cc1
InChIInChI=1S/C23H25NO2/c1-16-5-7-18(8-6-16)23(25)19-9-10-22-20(14-19)15-21(26-22)11-13-24-12-3-4-17(24)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3
InChIKeyYANFQSPNBDHUOP-UHFFFAOYSA-N
XLogP5.00
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone?
The IUPAC name of (4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone (CID 22274484) is (4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone is Cc1ccc(C(=O)c2ccc3oc(CCN4CCCC4C)cc3c2)cc1.
What is the InChIKey of (4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone?
The InChIKey is YANFQSPNBDHUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-16-5-7-18(8-6-16)23(25)19-9-10-22-20(14-19)15-21(26-22)11-13-24-12-3-4-17(24)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3.
What are the key properties of (4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone?
(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone is sourced from PubChem (CID 22274484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).