1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one

C24H29N3O6 — CID 122454045

IUPAC1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one
SMILESCc1c([C@@H](O)CN2CCC(CN3CCN(C4=CC(=O)OC4)C3=O)CC2)ccc2c1COC2=O
InChIInChI=1S/C24H29N3O6/c1-15-18(2-3-19-20(15)14-33-23(19)30)21(28)12-25-6-4-16(5-7-25)11-26-8-9-27(24(26)31)17-10-22(29)32-13-17/h2-3,10,16,21,28H,4-9,11-14H2,1H3/t21-/m0/s1
InChIKeyCKJMVMTUCGIEFJ-NRFANRHFSA-N
MW455.51 g/mol
LogP1.59
Rot. Bonds6

About 1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one

1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one (PubChem CID 122454045) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is 1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one
PubChem CID122454045
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one
SMILESCc1c([C@@H](O)CN2CCC(CN3CCN(C4=CC(=O)OC4)C3=O)CC2)ccc2c1COC2=O
InChIInChI=1S/C24H29N3O6/c1-15-18(2-3-19-20(15)14-33-23(19)30)21(28)12-25-6-4-16(5-7-25)11-26-8-9-27(24(26)31)17-10-22(29)32-13-17/h2-3,10,16,21,28H,4-9,11-14H2,1H3/t21-/m0/s1
InChIKeyCKJMVMTUCGIEFJ-NRFANRHFSA-N
XLogP1.59
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-[(1R)-2-(4-aminopiperidin-1-yl)-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 86730581
5-[2-(azetidin-1-yl)-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 154464322
9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 121344151
5-[(1R)-1-hydroxy-2-piperazin-1-ylethyl]-4-methyl-3H-2-benzofuran-1-one
CID 59568728
5-[2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 59568694
1-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)-1,3-diazinan-2-one
CID 122489036
5-[1-hydroxy-2-[[(3R)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]amino]ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 134261037
5-[(1R)-1-chloro-2-[3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 118196944
5-[2-[4-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1,4-diazocan-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 138528125
[1-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]cyclobutyl]azanium
CID 140694642
5-[(1R)-2-[4-[2-(4-cyclopropyl-1-oxo-3H-2-benzofuran-5-yl)-2-hydroxyethyl]piperazin-1-yl]-1-(hydroxyamino)ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 118580014
(3S)-6-[(1S)-1-hydroxy-2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3-methyl-3,4-dihydroisochromen-1-one
CID 71557837

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one?
The IUPAC name of 1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one (CID 122454045) is 1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one is Cc1c([C@@H](O)CN2CCC(CN3CCN(C4=CC(=O)OC4)C3=O)CC2)ccc2c1COC2=O.
What is the InChIKey of 1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one?
The InChIKey is CKJMVMTUCGIEFJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-15-18(2-3-19-20(15)14-33-23(19)30)21(28)12-25-6-4-16(5-7-25)11-26-8-9-27(24(26)31)17-10-22(29)32-13-17/h2-3,10,16,21,28H,4-9,11-14H2,1H3/t21-/m0/s1.
What are the key properties of 1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one?
1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one has a molecular weight of 455.51 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one is sourced from PubChem (CID 122454045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).