1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one

C14H20N2O — CID 126760369

IUPAC1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one
SMILESCCC(C)c1cccc(N2CCN(C)C2=O)c1
InChIInChI=1S/C14H20N2O/c1-4-11(2)12-6-5-7-13(10-12)16-9-8-15(3)14(16)17/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyKONMVXUGVQMDME-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.07
Rot. Bonds3

About 1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one

1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one (PubChem CID 126760369) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one
PubChem CID126760369
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one
SMILESCCC(C)c1cccc(N2CCN(C)C2=O)c1
InChIInChI=1S/C14H20N2O/c1-4-11(2)12-6-5-7-13(10-12)16-9-8-15(3)14(16)17/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyKONMVXUGVQMDME-UHFFFAOYSA-N
XLogP3.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 117412461
3-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanal
CID 117438638
1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117371582
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one
CID 45273334
1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one
CID 117371623
1-(3-bromo-4-methylphenyl)-3-methylimidazolidin-2-one
CID 117026496
1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one
CID 117431163
2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine
CID 118133804
2-amino-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
CID 117444231
1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one
CID 95047000
methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
CID 117472059
1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one
CID 46982524

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one (CID 126760369) is 1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one is CCC(C)c1cccc(N2CCN(C)C2=O)c1.
What is the InChIKey of 1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one?
The InChIKey is KONMVXUGVQMDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-11(2)12-6-5-7-13(10-12)16-9-8-15(3)14(16)17/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of 1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one?
1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 126760369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).