(5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one

C16H18N2O — CID 59884099

IUPAC(5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
SMILESCC1(C)NC(=O)[C@H](Cc2ccc3ccccc3c2)N1
InChIInChI=1S/C16H18N2O/c1-16(2)17-14(15(19)18-16)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,14,17H,10H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyWUKZFXXVTVNLFV-AWEZNQCLSA-N
MW254.33 g/mol
LogP2.21
Rot. Bonds2

About (5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one

(5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one (PubChem CID 59884099) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
PubChem CID59884099
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
SMILESCC1(C)NC(=O)[C@H](Cc2ccc3ccccc3c2)N1
InChIInChI=1S/C16H18N2O/c1-16(2)17-14(15(19)18-16)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,14,17H,10H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyWUKZFXXVTVNLFV-AWEZNQCLSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-5-(naphthalen-2-yl)imidazolidine-2,4-dione
CID 5000632
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(naphthalen-2-yl)ethyl]carbamate
CID 11523212
cyclo(-D-Ala-D-Arg-L-Arg-L-Nal-Gly-)
CID 44418868
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(2-methylphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895821
(2R)-N'-hydroxy-N-[(2R)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 44310932
[(1R)-1-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 44583187
N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4004542
2-(4-Methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4463142
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide
CID 5162697
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 5210526
Ala(1-naph)-boroLeu
CID 5351432
(R)-N-(naphthalen-2-ylmethyl)-N-(pyrrolidin-3-yl)propionamide
CID 11543737

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of (5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one (CID 59884099) is (5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for (5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for (5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one is CC1(C)NC(=O)[C@H](Cc2ccc3ccccc3c2)N1.
What is the InChIKey of (5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one?
The InChIKey is WUKZFXXVTVNLFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2)17-14(15(19)18-16)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,14,17H,10H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one?
(5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one has a molecular weight of 254.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 59884099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).