(5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione

C16H22N2O2 — CID 99781661

IUPAC(5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1ccc([C@@H](C)CN2C(=O)N[C@@H](C(C)C)C2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-10(2)14-15(19)18(16(20)17-14)9-12(4)13-7-5-11(3)6-8-13/h5-8,10,12,14H,9H2,1-4H3,(H,17,20)/t12-,14-/m0/s1
InChIKeyJDVNNTBTZJAVFF-JSGCOSHPSA-N
MW274.36 g/mol
LogP2.67
Rot. Bonds4

About (5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione

(5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 99781661) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID99781661
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1ccc([C@@H](C)CN2C(=O)N[C@@H](C(C)C)C2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-10(2)14-15(19)18(16(20)17-14)9-12(4)13-7-5-11(3)6-8-13/h5-8,10,12,14H,9H2,1-4H3,(H,17,20)/t12-,14-/m0/s1
InChIKeyJDVNNTBTZJAVFF-JSGCOSHPSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 99781661) is (5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione is Cc1ccc([C@@H](C)CN2C(=O)N[C@@H](C(C)C)C2=O)cc1.
What is the InChIKey of (5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is JDVNNTBTZJAVFF-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)14-15(19)18(16(20)17-14)9-12(4)13-7-5-11(3)6-8-13/h5-8,10,12,14H,9H2,1-4H3,(H,17,20)/t12-,14-/m0/s1.
What are the key properties of (5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 274.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 99781661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).