1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one

C19H18N2O5 — CID 54736082

IUPAC1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one
SMILESCc1c(-c2cc3cc(CN4CCNC4=O)ccc3o2)oc(=O)c(C)c1O
InChIInChI=1S/C19H18N2O5/c1-10-16(22)11(2)18(23)26-17(10)15-8-13-7-12(3-4-14(13)25-15)9-21-6-5-20-19(21)24/h3-4,7-8,22H,5-6,9H2,1-2H3,(H,20,24)
InChIKeyLJTJEKDHBAMXGK-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.90
Rot. Bonds3

About 1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one

1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one (PubChem CID 54736082) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one
PubChem CID54736082
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one
SMILESCc1c(-c2cc3cc(CN4CCNC4=O)ccc3o2)oc(=O)c(C)c1O
InChIInChI=1S/C19H18N2O5/c1-10-16(22)11(2)18(23)26-17(10)15-8-13-7-12(3-4-14(13)25-15)9-21-6-5-20-19(21)24/h3-4,7-8,22H,5-6,9H2,1-2H3,(H,20,24)
InChIKeyLJTJEKDHBAMXGK-UHFFFAOYSA-N
XLogP2.90
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one with MolForge

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Related Compounds

Intronistat B
CID 134715333
2,2,2-trifluoroethyl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-2-carboxylate
CID 10022763
[2-Fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid
CID 139560798
2-[[5-[[4-(4,5-Difluoro-3-methyl-1-benzofuran-7-yl)phenoxy]methyl]furan-2-carbonyl]-[2-(methylamino)ethyl]amino]acetic acid
CID 140301467
2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide
CID 168893560
[2-Oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1-benzofuran-2-carboxylate
CID 16359501
5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-2-carboxylic acid
CID 9971997
methyl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-2-carboxylate
CID 10470877
propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-2-carboxylate
CID 11724938
5-methyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide
CID 53527167
4-Hydroxy-6-[5-[3-[2-(2-hydroxyphenyl)ethylamino]propyl]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one
CID 54682753
4-Hydroxy-3,5-dimethyl-6-(5-piperidin-4-yl-1-benzofuran-2-yl)pyran-2-one
CID 54682765

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one (CID 54736082) is 1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one is Cc1c(-c2cc3cc(CN4CCNC4=O)ccc3o2)oc(=O)c(C)c1O.
What is the InChIKey of 1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one?
The InChIKey is LJTJEKDHBAMXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-10-16(22)11(2)18(23)26-17(10)15-8-13-7-12(3-4-14(13)25-15)9-21-6-5-20-19(21)24/h3-4,7-8,22H,5-6,9H2,1-2H3,(H,20,24).
What are the key properties of 1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one?
1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one has a molecular weight of 354.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 54736082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).