1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one

C13H18N2O2 — CID 117026499

IUPAC1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(C)C1=O
InChIInChI=1S/C13H18N2O2/c1-10(2)17-12-7-5-4-6-11(12)15-9-8-14(3)13(15)16/h4-7,10H,8-9H2,1-3H3
InChIKeyKFZIXYXWAKXDJU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.35
Rot. Bonds3

About 1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one

1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one (PubChem CID 117026499) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one
PubChem CID117026499
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(C)C1=O
InChIInChI=1S/C13H18N2O2/c1-10(2)17-12-7-5-4-6-11(12)15-9-8-14(3)13(15)16/h4-7,10H,8-9H2,1-3H3
InChIKeyKFZIXYXWAKXDJU-UHFFFAOYSA-N
XLogP2.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one (CID 117026499) is 1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one is CC(C)Oc1ccccc1N1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one?
The InChIKey is KFZIXYXWAKXDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)17-12-7-5-4-6-11(12)15-9-8-14(3)13(15)16/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one?
1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 117026499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).