2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile

C22H23N3O5 — CID 55410170

IUPAC2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile
SMILESCOc1cccc(C2(C)NC(=O)N(CC(O)COc3ccc(CC#N)cc3)C2=O)c1
InChIInChI=1S/C22H23N3O5/c1-22(16-4-3-5-19(12-16)29-2)20(27)25(21(28)24-22)13-17(26)14-30-18-8-6-15(7-9-18)10-11-23/h3-9,12,17,26H,10,13-14H2,1-2H3,(H,24,28)
InChIKeyUFOOEFBVCIFVFS-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.97
Rot. Bonds8

About 2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile

2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile (PubChem CID 55410170) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile
PubChem CID55410170
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile
SMILESCOc1cccc(C2(C)NC(=O)N(CC(O)COc3ccc(CC#N)cc3)C2=O)c1
InChIInChI=1S/C22H23N3O5/c1-22(16-4-3-5-19(12-16)29-2)20(27)25(21(28)24-22)13-17(26)14-30-18-8-6-15(7-9-18)10-11-23/h3-9,12,17,26H,10,13-14H2,1-2H3,(H,24,28)
InChIKeyUFOOEFBVCIFVFS-UHFFFAOYSA-N
XLogP1.97
TPSA111.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-[(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31566247
3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17491461
3-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 45354126
(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31565993
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 47556168
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42942253
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94817997
5-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 46613397
3-[3-(4-acetylphenoxy)-2-hydroxypropyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 55685017
4-[3-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]benzonitrile
CID 55410147
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18087052

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile (CID 55410170) is 2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile is COc1cccc(C2(C)NC(=O)N(CC(O)COc3ccc(CC#N)cc3)C2=O)c1.
What is the InChIKey of 2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile?
The InChIKey is UFOOEFBVCIFVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-22(16-4-3-5-19(12-16)29-2)20(27)25(21(28)24-22)13-17(26)14-30-18-8-6-15(7-9-18)10-11-23/h3-9,12,17,26H,10,13-14H2,1-2H3,(H,24,28).
What are the key properties of 2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile?
2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile has a molecular weight of 409.44 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile is sourced from PubChem (CID 55410170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).