(5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one

C20H29FN2O2 — CID 142070422

IUPAC(5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one
SMILESC=C(C)[C@@H](C)OC[C@]1(c2ccc(F)cc2)NC(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C20H29FN2O2/c1-13(2)14(3)25-12-20(15-8-10-16(21)11-9-15)18(24)23(7)17(22-20)19(4,5)6/h8-11,14,17,22H,1,12H2,2-7H3/t14-,17?,20-/m1/s1
InChIKeyCJNYLZMNFCLHMH-LOPWJBSJSA-N
MW348.46 g/mol
LogP3.44
Rot. Bonds5

About (5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one

(5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one (PubChem CID 142070422) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is (5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one
PubChem CID142070422
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name(5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one
SMILESC=C(C)[C@@H](C)OC[C@]1(c2ccc(F)cc2)NC(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C20H29FN2O2/c1-13(2)14(3)25-12-20(15-8-10-16(21)11-9-15)18(24)23(7)17(22-20)19(4,5)6/h8-11,14,17,22H,1,12H2,2-7H3/t14-,17?,20-/m1/s1
InChIKeyCJNYLZMNFCLHMH-LOPWJBSJSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one?
The IUPAC name of (5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one (CID 142070422) is (5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one.
What is the SMILES notation for (5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one?
The canonical SMILES for (5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one is C=C(C)[C@@H](C)OC[C@]1(c2ccc(F)cc2)NC(C(C)(C)C)N(C)C1=O.
What is the InChIKey of (5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one?
The InChIKey is CJNYLZMNFCLHMH-LOPWJBSJSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-13(2)14(3)25-12-20(15-8-10-16(21)11-9-15)18(24)23(7)17(22-20)19(4,5)6/h8-11,14,17,22H,1,12H2,2-7H3/t14-,17?,20-/m1/s1.
What are the key properties of (5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one?
(5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one has a molecular weight of 348.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-tert-butyl-5-(4-fluorophenyl)-3-methyl-5-[[(2R)-3-methylbut-3-en-2-yl]oxymethyl]imidazolidin-4-one is sourced from PubChem (CID 142070422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).