2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile

C20H18N4O2 — CID 45281784

IUPAC2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(C#N)CCC#N)C1=O
InChIInChI=1S/C20H18N4O2/c1-20(17-9-8-15-6-2-3-7-16(15)11-17)18(25)24(19(26)23-20)13-14(12-22)5-4-10-21/h2-3,6-9,11,14H,4-5,13H2,1H3,(H,23,26)
InChIKeyVLHQFJRKXPTZDF-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.05
Rot. Bonds5

About 2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile

2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile (PubChem CID 45281784) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile.

Molecular Properties

Compound Name2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile
PubChem CID45281784
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(C#N)CCC#N)C1=O
InChIInChI=1S/C20H18N4O2/c1-20(17-9-8-15-6-2-3-7-16(15)11-17)18(25)24(19(26)23-20)13-14(12-22)5-4-10-21/h2-3,6-9,11,14H,4-5,13H2,1H3,(H,23,26)
InChIKeyVLHQFJRKXPTZDF-UHFFFAOYSA-N
XLogP3.05
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.05
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

[(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793306
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
5-methyl-5-naphthalen-2-yl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 24674252
N-[(2R)-5-methylhexan-2-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40748919
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 46796949
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 9439740
2-[(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)methyl]pentanedinitrile
CID 42955377
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
(5R)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 52537687
(5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 52537686
4-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanenitrile
CID 78881629
N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55537845

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile?
The IUPAC name of 2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile (CID 45281784) is 2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile.
What is the SMILES notation for 2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile?
The canonical SMILES for 2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(C#N)CCC#N)C1=O.
What is the InChIKey of 2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile?
The InChIKey is VLHQFJRKXPTZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-20(17-9-8-15-6-2-3-7-16(15)11-17)18(25)24(19(26)23-20)13-14(12-22)5-4-10-21/h2-3,6-9,11,14H,4-5,13H2,1H3,(H,23,26).
What are the key properties of 2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile?
2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile has a molecular weight of 346.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile is sourced from PubChem (CID 45281784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).