1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C25H23N3O5 — CID 91351536

IUPAC1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESCn1cc(O)n(-c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4ccccc45)CC3)cc2)c1=O
InChIInChI=1S/C25H23N3O5/c1-26-14-20(29)28(23(26)32)17-8-6-16(7-9-17)24(10-11-24)22(31)27-13-12-25(15-27)19-5-3-2-4-18(19)21(30)33-25/h2-9,14,29H,10-13,15H2,1H3
InChIKeySSOJAFDBQPJFEO-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.21
Rot. Bonds3

About 1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 91351536) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID91351536
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESCn1cc(O)n(-c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4ccccc45)CC3)cc2)c1=O
InChIInChI=1S/C25H23N3O5/c1-26-14-20(29)28(23(26)32)17-8-6-16(7-9-17)24(10-11-24)22(31)27-13-12-25(15-27)19-5-3-2-4-18(19)21(30)33-25/h2-9,14,29H,10-13,15H2,1H3
InChIKeySSOJAFDBQPJFEO-UHFFFAOYSA-N
XLogP2.21
TPSA93.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1'-Cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
CID 127046245
3'-(4-Ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
CID 127047406
3'-Phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
CID 101450331
(3R)-1'-[2-methyl-2-[4-[4-(trifluoromethylsulfonyl)piperazin-1-yl]phenyl]propanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 11628188
N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide
CID 24851726
4-fluoro-N-[4-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]phenyl]benzamide
CID 57989408
methyl 4-[3-fluoro-4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]piperazine-1-carboxylate
CID 66661671
(3R)-1'-[1-[4-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-fluorophenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66661695
1'-[1-[4-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-2-fluorophenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66661826
(3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66661950
(3R)-1'-[1-[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66661989
[3-Fluoro-4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]-methylcarbamic acid
CID 66662037

Frequently Asked Questions

What is the IUPAC name of 1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of 1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 91351536) is 1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for 1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for 1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is Cn1cc(O)n(-c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4ccccc45)CC3)cc2)c1=O.
What is the InChIKey of 1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is SSOJAFDBQPJFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-26-14-20(29)28(23(26)32)17-8-6-16(7-9-17)24(10-11-24)22(31)27-13-12-25(15-27)19-5-3-2-4-18(19)21(30)33-25/h2-9,14,29H,10-13,15H2,1H3.
What are the key properties of 1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 445.48 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 91351536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).