(5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione

C18H15F3N2O4S — CID 54584429

IUPAC(5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H15F3N2O4S/c1-12-16(24)23(17(25)22(12)11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)28(26,27)18(19,20)21/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyUHFSBMSDDIZCMQ-LBPRGKRZSA-N
MW412.39 g/mol
LogP3.34
Rot. Bonds4

About (5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione

(5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione (PubChem CID 54584429) has the molecular formula C18H15F3N2O4S and a molecular weight of 412.39 g/mol. Its IUPAC name is (5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
PubChem CID54584429
Molecular FormulaC18H15F3N2O4S
Molecular Weight412.39 g/mol
Exact Mass412.07
IUPAC Name(5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H15F3N2O4S/c1-12-16(24)23(17(25)22(12)11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)28(26,27)18(19,20)21/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyUHFSBMSDDIZCMQ-LBPRGKRZSA-N
XLogP3.34
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione (CID 54584429) is (5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione is C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is UHFSBMSDDIZCMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15F3N2O4S/c1-12-16(24)23(17(25)22(12)11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)28(26,27)18(19,20)21/h2-10,12H,11H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione?
(5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 412.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 54584429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).