2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile

C14H15N3O3 — CID 94819428

IUPAC2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
SMILESCOC[C@@]1(C)NC(=O)N(Cc2ccccc2C#N)C1=O
InChIInChI=1S/C14H15N3O3/c1-14(9-20-2)12(18)17(13(19)16-14)8-11-6-4-3-5-10(11)7-15/h3-6H,8-9H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyOHHSQILUSSOUII-CQSZACIVSA-N
MW273.29 g/mol
LogP1.02
Rot. Bonds4

About 2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile

2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile (PubChem CID 94819428) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
PubChem CID94819428
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
SMILESCOC[C@@]1(C)NC(=O)N(Cc2ccccc2C#N)C1=O
InChIInChI=1S/C14H15N3O3/c1-14(9-20-2)12(18)17(13(19)16-14)8-11-6-4-3-5-10(11)7-15/h3-6H,8-9H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyOHHSQILUSSOUII-CQSZACIVSA-N
XLogP1.02
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile
CID 94132515
2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 17395489
2-[[(4R)-4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 94799539
2-[[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7565535
(5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95333198
(5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95158297
3-ethyl-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 127013226
2-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 3984831
2-[[3-[(2-cyanophenyl)methyl]-4,5-dimethyl-2-oxoimidazol-1-yl]methyl]benzonitrile
CID 67586386
(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95166190
2-[[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7531629
2-[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 95166197

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile (CID 94819428) is 2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile is COC[C@@]1(C)NC(=O)N(Cc2ccccc2C#N)C1=O.
What is the InChIKey of 2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The InChIKey is OHHSQILUSSOUII-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(9-20-2)12(18)17(13(19)16-14)8-11-6-4-3-5-10(11)7-15/h3-6H,8-9H2,1-2H3,(H,16,19)/t14-/m1/s1.
What are the key properties of 2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile has a molecular weight of 273.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 94819428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).