(5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione

C17H22F3N3O2 — CID 25439287

IUPAC(5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione
SMILESCC(C)C[C@H]1NC(=O)N(CN(C)Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H22F3N3O2/c1-11(2)8-14-15(24)23(16(25)21-14)10-22(3)9-12-4-6-13(7-5-12)17(18,19)20/h4-7,11,14H,8-10H2,1-3H3,(H,21,25)/t14-/m1/s1
InChIKeyDLPLJQDFNKZEGF-CQSZACIVSA-N
MW357.38 g/mol
LogP3.06
Rot. Bonds6

About (5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione

(5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione (PubChem CID 25439287) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is (5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione
PubChem CID25439287
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name(5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione
SMILESCC(C)C[C@H]1NC(=O)N(CN(C)Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H22F3N3O2/c1-11(2)8-14-15(24)23(16(25)21-14)10-22(3)9-12-4-6-13(7-5-12)17(18,19)20/h4-7,11,14H,8-10H2,1-3H3,(H,21,25)/t14-/m1/s1
InChIKeyDLPLJQDFNKZEGF-CQSZACIVSA-N
XLogP3.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.06
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 (5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione (CID 25439287) is (5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione is CC(C)C[C@H]1NC(=O)N(CN(C)Cc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of (5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione?
The InChIKey is DLPLJQDFNKZEGF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-11(2)8-14-15(24)23(16(25)21-14)10-22(3)9-12-4-6-13(7-5-12)17(18,19)20/h4-7,11,14H,8-10H2,1-3H3,(H,21,25)/t14-/m1/s1.
What are the key properties of (5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione?
(5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione has a molecular weight of 357.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 25439287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).