1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one

C15H20N2O2 — CID 23384012

IUPAC1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one
SMILESCCCC(=O)N1C(C)C(=O)N(C)C1c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-4-8-13(18)17-11(2)15(19)16(3)14(17)12-9-6-5-7-10-12/h5-7,9-11,14H,4,8H2,1-3H3
InChIKeyXAOLVAPCZGYGGO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.17
Rot. Bonds3

About 1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one

1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one (PubChem CID 23384012) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one
PubChem CID23384012
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one
SMILESCCCC(=O)N1C(C)C(=O)N(C)C1c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-4-8-13(18)17-11(2)15(19)16(3)14(17)12-9-6-5-7-10-12/h5-7,9-11,14H,4,8H2,1-3H3
InChIKeyXAOLVAPCZGYGGO-UHFFFAOYSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one
CID 23531195
(4R)-3-butanoyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 146861544
(4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one
CID 59890448
(5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
CID 59072610
1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
CID 165440593
2-methylpropyl (2R,4R)-3-butanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809693
2-methylpropyl (2R,4S)-3-butanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809690
(4R,5R)-1-methyl-4,5-diphenyl-3-propanoylimidazolidin-2-one
CID 14905101
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
(3S,4R)-1-(1-butanoylpiperidin-4-yl)-4-phenylpyrrolidine-3-carboxylic acid
CID 72859365
(2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one
CID 101008767
5-phenyl-3-propyl-1,3-diazinane-2,4-dione
CID 62884724

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one?
The IUPAC name of 1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one (CID 23384012) is 1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one.
What is the SMILES notation for 1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one?
The canonical SMILES for 1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one is CCCC(=O)N1C(C)C(=O)N(C)C1c1ccccc1.
What is the InChIKey of 1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one?
The InChIKey is XAOLVAPCZGYGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-8-13(18)17-11(2)15(19)16(3)14(17)12-9-6-5-7-10-12/h5-7,9-11,14H,4,8H2,1-3H3.
What are the key properties of 1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one?
1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-3,5-dimethyl-2-phenylimidazolidin-4-one is sourced from PubChem (CID 23384012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).