(5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione

C15H17F3N2O3 — CID 154781714

IUPAC(5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCOCc1ccc(N2C(=O)N[C@@H](C(C)C)C2=O)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-8(2)12-13(21)20(14(22)19-12)10-5-4-9(7-23-3)11(6-10)15(16,17)18/h4-6,8,12H,7H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyBRTWZJBXDYXXMO-LBPRGKRZSA-N
MW330.31 g/mol
LogP2.93
Rot. Bonds4

About (5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione

(5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 154781714) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is (5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID154781714
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name(5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCOCc1ccc(N2C(=O)N[C@@H](C(C)C)C2=O)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-8(2)12-13(21)20(14(22)19-12)10-5-4-9(7-23-3)11(6-10)15(16,17)18/h4-6,8,12H,7H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyBRTWZJBXDYXXMO-LBPRGKRZSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 154781714) is (5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione is COCc1ccc(N2C(=O)N[C@@H](C(C)C)C2=O)cc1C(F)(F)F.
What is the InChIKey of (5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is BRTWZJBXDYXXMO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-8(2)12-13(21)20(14(22)19-12)10-5-4-9(7-23-3)11(6-10)15(16,17)18/h4-6,8,12H,7H2,1-3H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 330.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[4-(methoxymethyl)-3-(trifluoromethyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 154781714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).