(5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione

C12H14N2O5 — CID 141182500

IUPAC(5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](c2ccc(OC(CO)CO)cc2)N1
InChIInChI=1S/C12H14N2O5/c15-5-9(6-16)19-8-3-1-7(2-4-8)10-11(17)14-12(18)13-10/h1-4,9-10,15-16H,5-6H2,(H2,13,14,17,18)/t10-/m1/s1
InChIKeyATYYQXYDLMEFHU-SNVBAGLBSA-N
MW266.25 g/mol
LogP-0.70
Rot. Bonds5

About (5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione

(5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione (PubChem CID 141182500) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione
PubChem CID141182500
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](c2ccc(OC(CO)CO)cc2)N1
InChIInChI=1S/C12H14N2O5/c15-5-9(6-16)19-8-3-1-7(2-4-8)10-11(17)14-12(18)13-10/h1-4,9-10,15-16H,5-6H2,(H2,13,14,17,18)/t10-/m1/s1
InChIKeyATYYQXYDLMEFHU-SNVBAGLBSA-N
XLogP-0.70
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 708719
(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione
CID 141182513
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid
CID 99773063
5-(4-ethylphenyl)imidazolidine-2,4-dione
CID 60693099
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
5-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one
CID 82997067
1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
CID 110747582
2-(dimethylamino)-N-[4-[(4R)-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 141182507
(5R)-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 94042985
5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione
CID 70596915

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione (CID 141182500) is (5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](c2ccc(OC(CO)CO)cc2)N1.
What is the InChIKey of (5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is ATYYQXYDLMEFHU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-5-9(6-16)19-8-3-1-7(2-4-8)10-11(17)14-12(18)13-10/h1-4,9-10,15-16H,5-6H2,(H2,13,14,17,18)/t10-/m1/s1.
What are the key properties of (5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione?
(5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 266.25 g/mol, XLogP of -0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 141182500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).