(2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one

C13H18N2O — CID 59628903

IUPAC(2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCc1cc(C)cc(C[C@@H]2NCC(=O)N2C)c1
InChIInChI=1S/C13H18N2O/c1-9-4-10(2)6-11(5-9)7-12-14-8-13(16)15(12)3/h4-6,12,14H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyRFRVPWAUPNRJBV-GFCCVEGCSA-N
MW218.30 g/mol
LogP1.23
Rot. Bonds2

About (2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one

(2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one (PubChem CID 59628903) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one
PubChem CID59628903
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCc1cc(C)cc(C[C@@H]2NCC(=O)N2C)c1
InChIInChI=1S/C13H18N2O/c1-9-4-10(2)6-11(5-9)7-12-14-8-13(16)15(12)3/h4-6,12,14H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyRFRVPWAUPNRJBV-GFCCVEGCSA-N
XLogP1.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylimidazolidine-2,4,5-trione
CID 562619
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
Simufilam
CID 46195331
3-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266408
3-(3-Phenylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 7422654
N-(1-phenylethyl)-2-(pyrrolidin-1-yl)acetamide
CID 17379650
1-(3-Methylbenzyl)imidazolidin-2-one
CID 3236942
N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 2968207
1-Pyrrolidineacetamide, 2-oxo-N-(2-phenylethyl)-
CID 759775
2-(2-Oxopyrrolidin-1-yl)-N-(1-phenylpropan-2-yl)ethanimidic acid
CID 3080062
Hydantoin, 3-methyl-5-(m-(trifluoromethyl)benzyl)-
CID 3059466
1-Pyrrolidineacetamide, N-(phenylmethyl)-
CID 2214094

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one?
The IUPAC name of (2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one (CID 59628903) is (2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one.
What is the SMILES notation for (2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one?
The canonical SMILES for (2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one is Cc1cc(C)cc(C[C@@H]2NCC(=O)N2C)c1.
What is the InChIKey of (2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one?
The InChIKey is RFRVPWAUPNRJBV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-4-10(2)6-11(5-9)7-12-14-8-13(16)15(12)3/h4-6,12,14H,7-8H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one?
(2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one has a molecular weight of 218.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one is sourced from PubChem (CID 59628903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).