(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione

C13H14N2O3 — CID 141182513

IUPAC(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](c2ccc(OCC3CC3)cc2)N1
InChIInChI=1S/C13H14N2O3/c16-12-11(14-13(17)15-12)9-3-5-10(6-4-9)18-7-8-1-2-8/h3-6,8,11H,1-2,7H2,(H2,14,15,16,17)/t11-/m1/s1
InChIKeyTXDNDSMOATUXMP-LLVKDONJSA-N
MW246.27 g/mol
LogP1.36
Rot. Bonds4

About (5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione

(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 141182513) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID141182513
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](c2ccc(OCC3CC3)cc2)N1
InChIInChI=1S/C13H14N2O3/c16-12-11(14-13(17)15-12)9-3-5-10(6-4-9)18-7-8-1-2-8/h3-6,8,11H,1-2,7H2,(H2,14,15,16,17)/t11-/m1/s1
InChIKeyTXDNDSMOATUXMP-LLVKDONJSA-N
XLogP1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione
CID 141182500
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
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
[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid
CID 99773063
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione
CID 146262975
4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde
CID 131887316
(5R)-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 94042985
1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione (CID 141182513) is (5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](c2ccc(OCC3CC3)cc2)N1.
What is the InChIKey of (5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is TXDNDSMOATUXMP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12-11(14-13(17)15-12)9-3-5-10(6-4-9)18-7-8-1-2-8/h3-6,8,11H,1-2,7H2,(H2,14,15,16,17)/t11-/m1/s1.
What are the key properties of (5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione?
(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 141182513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).