(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one

C13H18N2O2 — CID 171252821

IUPAC(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one
SMILESCC(C)(C)Oc1ccc([C@H]2CNC(=O)N2)cc1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-10-6-4-9(5-7-10)11-8-14-12(16)15-11/h4-7,11H,8H2,1-3H3,(H2,14,15,16)/t11-/m1/s1
InChIKeyWOMFCGGEGRKZRJ-LLVKDONJSA-N
MW234.30 g/mol
LogP2.22
Rot. Bonds2

About (4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one

(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one (PubChem CID 171252821) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one
PubChem CID171252821
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one
SMILESCC(C)(C)Oc1ccc([C@H]2CNC(=O)N2)cc1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-10-6-4-9(5-7-10)11-8-14-12(16)15-11/h4-7,11H,8H2,1-3H3,(H2,14,15,16)/t11-/m1/s1
InChIKeyWOMFCGGEGRKZRJ-LLVKDONJSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidin-2-one
CID 171252567
4-(4-propoxyphenyl)imidazolidin-2-one
CID 154396334
(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid
CID 131480890
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one
CID 110538830
(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
CID 95451553
2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
CID 82297057
(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 171252661
(4R)-4-(3-chloro-4-methylphenyl)imidazolidin-2-one
CID 130642849
4-(5-tert-butyl-2-methylphenyl)imidazolidin-2-one
CID 116855787
(4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one
CID 130976022
1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine
CID 156550920

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one?
The IUPAC name of (4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one (CID 171252821) is (4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one is CC(C)(C)Oc1ccc([C@H]2CNC(=O)N2)cc1.
What is the InChIKey of (4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one?
The InChIKey is WOMFCGGEGRKZRJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,3)17-10-6-4-9(5-7-10)11-8-14-12(16)15-11/h4-7,11H,8H2,1-3H3,(H2,14,15,16)/t11-/m1/s1.
What are the key properties of (4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one?
(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171252821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).