2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile

C15H17N3O2 — CID 94132515

IUPAC2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile
SMILESCCC[C@@]1(C)NC(=O)N(Cc2ccccc2C#N)C1=O
InChIInChI=1S/C15H17N3O2/c1-3-8-15(2)13(19)18(14(20)17-15)10-12-7-5-4-6-11(12)9-16/h4-7H,3,8,10H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyFCLRNBGTOIXXLU-OAHLLOKOSA-N
MW271.32 g/mol
LogP2.17
Rot. Bonds4

About 2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile

2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile (PubChem CID 94132515) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile
PubChem CID94132515
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile
SMILESCCC[C@@]1(C)NC(=O)N(Cc2ccccc2C#N)C1=O
InChIInChI=1S/C15H17N3O2/c1-3-8-15(2)13(19)18(14(20)17-15)10-12-7-5-4-6-11(12)9-16/h4-7H,3,8,10H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyFCLRNBGTOIXXLU-OAHLLOKOSA-N
XLogP2.17
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 94819428
2-[[(4R)-4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 94799539
2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 17395489
2-[[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7565535
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
2-[[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7531629
2-[(2,4,6-trioxo-1,3-diazinan-1-yl)methyl]benzonitrile
CID 118182749
2-[[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 82147862
3-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CID 24693226
2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
CID 82156967
(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94870336

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile (CID 94132515) is 2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile is CCC[C@@]1(C)NC(=O)N(Cc2ccccc2C#N)C1=O.
What is the InChIKey of 2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile?
The InChIKey is FCLRNBGTOIXXLU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-8-15(2)13(19)18(14(20)17-15)10-12-7-5-4-6-11(12)9-16/h4-7H,3,8,10H2,1-2H3,(H,17,20)/t15-/m1/s1.
What are the key properties of 2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile?
2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile has a molecular weight of 271.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 94132515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).