(2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one

C14H19FN2O — CID 59904868

IUPAC(2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one
SMILESCN1C(=O)C(c2ccc(F)cc2)N[C@H]1C(C)(C)C
InChIInChI=1S/C14H19FN2O/c1-14(2,3)13-16-11(12(18)17(13)4)9-5-7-10(15)8-6-9/h5-8,11,13,16H,1-4H3/t11?,13-/m1/s1
InChIKeyJMSYWLPQDDMGBM-GLGOKHISSA-N
MW250.32 g/mol
LogP2.30
Rot. Bonds1

About (2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one

(2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one (PubChem CID 59904868) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one
PubChem CID59904868
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one
SMILESCN1C(=O)C(c2ccc(F)cc2)N[C@H]1C(C)(C)C
InChIInChI=1S/C14H19FN2O/c1-14(2,3)13-16-11(12(18)17(13)4)9-5-7-10(15)8-6-9/h5-8,11,13,16H,1-4H3/t11?,13-/m1/s1
InChIKeyJMSYWLPQDDMGBM-GLGOKHISSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one?
The IUPAC name of (2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one (CID 59904868) is (2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one.
What is the SMILES notation for (2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one?
The canonical SMILES for (2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one is CN1C(=O)C(c2ccc(F)cc2)N[C@H]1C(C)(C)C.
What is the InChIKey of (2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one?
The InChIKey is JMSYWLPQDDMGBM-GLGOKHISSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(2,3)13-16-11(12(18)17(13)4)9-5-7-10(15)8-6-9/h5-8,11,13,16H,1-4H3/t11?,13-/m1/s1.
What are the key properties of (2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one?
(2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one has a molecular weight of 250.32 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one is sourced from PubChem (CID 59904868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).