(5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

C19H22N2O5 — CID 31571010

IUPAC(5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(C[C@H](O)COCc3ccco3)C2=O)cc1
InChIInChI=1S/C19H22N2O5/c1-13-5-7-14(8-6-13)19(2)17(23)21(18(24)20-19)10-15(22)11-25-12-16-4-3-9-26-16/h3-9,15,22H,10-12H2,1-2H3,(H,20,24)/t15-,19-/m0/s1
InChIKeyNAQNAAUIHRNSSV-KXBFYZLASA-N
MW358.39 g/mol
LogP1.93
Rot. Bonds7

About (5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

(5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 31571010) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID31571010
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(C[C@H](O)COCc3ccco3)C2=O)cc1
InChIInChI=1S/C19H22N2O5/c1-13-5-7-14(8-6-13)19(2)17(23)21(18(24)20-19)10-15(22)11-25-12-16-4-3-9-26-16/h3-9,15,22H,10-12H2,1-2H3,(H,20,24)/t15-,19-/m0/s1
InChIKeyNAQNAAUIHRNSSV-KXBFYZLASA-N
XLogP1.93
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 51222955
5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 51250426
3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223013
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
(5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51963939
2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 31580066
1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
CID 60899568
(5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 94180443
1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 47005306
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 46796949
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109411210

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 31571010) is (5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)COCc3ccco3)C2=O)cc1.
What is the InChIKey of (5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is NAQNAAUIHRNSSV-KXBFYZLASA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13-5-7-14(8-6-13)19(2)17(23)21(18(24)20-19)10-15(22)11-25-12-16-4-3-9-26-16/h3-9,15,22H,10-12H2,1-2H3,(H,20,24)/t15-,19-/m0/s1.
What are the key properties of (5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
(5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 358.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 31571010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).