1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one

C25H29N3O2 — CID 22390752

IUPAC1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one
SMILESO=C1N(c2ccccc2)CCN1C1CCN(CCCc2coc3ccccc23)CC1
InChIInChI=1S/C25H29N3O2/c29-25-27(21-8-2-1-3-9-21)17-18-28(25)22-12-15-26(16-13-22)14-6-7-20-19-30-24-11-5-4-10-23(20)24/h1-5,8-11,19,22H,6-7,12-18H2
InChIKeyZTFUBNOCFBHZMU-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.77
Rot. Bonds6

About 1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one

1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one (PubChem CID 22390752) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one
PubChem CID22390752
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one
SMILESO=C1N(c2ccccc2)CCN1C1CCN(CCCc2coc3ccccc23)CC1
InChIInChI=1S/C25H29N3O2/c29-25-27(21-8-2-1-3-9-21)17-18-28(25)22-12-15-26(16-13-22)14-6-7-20-19-30-24-11-5-4-10-23(20)24/h1-5,8-11,19,22H,6-7,12-18H2
InChIKeyZTFUBNOCFBHZMU-UHFFFAOYSA-N
XLogP4.77
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 22390806
2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine
CID 116926610
3-[3-(4-benzoylpiperidin-1-yl)propyl]-6-chlorochromen-4-one;hydrochloride
CID 159764856
N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 22390802
10-(1-benzofuran-3-yl)decan-1-amine
CID 152675893
4-(1-benzofuran-3-yl)butane-1-sulfonic acid
CID 18415274
3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
4-(1-benzofuran-3-yl)butanehydrazide
CID 116843663
10-(1-benzofuran-3-yl)decane-1-sulfonic acid
CID 18415200
2-amino-6-(1-benzofuran-3-yl)hexanoic acid
CID 112518542
1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile
CID 116837850

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one?
The IUPAC name of 1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one (CID 22390752) is 1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one is O=C1N(c2ccccc2)CCN1C1CCN(CCCc2coc3ccccc23)CC1.
What is the InChIKey of 1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one?
The InChIKey is ZTFUBNOCFBHZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-25-27(21-8-2-1-3-9-21)17-18-28(25)22-12-15-26(16-13-22)14-6-7-20-19-30-24-11-5-4-10-23(20)24/h1-5,8-11,19,22H,6-7,12-18H2.
What are the key properties of 1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one?
1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one has a molecular weight of 403.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one is sourced from PubChem (CID 22390752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).