3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one

C15H22N2O — CID 83258403

IUPAC3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one
SMILESCC(C)C(C)CN1CNC(c2ccccc2)C1=O
InChIInChI=1S/C15H22N2O/c1-11(2)12(3)9-17-10-16-14(15(17)18)13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10H2,1-3H3
InChIKeyYGHDYMSUOFIOFD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.41
Rot. Bonds4

About 3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one

3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one (PubChem CID 83258403) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one
PubChem CID83258403
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one
SMILESCC(C)C(C)CN1CNC(c2ccccc2)C1=O
InChIInChI=1S/C15H22N2O/c1-11(2)12(3)9-17-10-16-14(15(17)18)13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10H2,1-3H3
InChIKeyYGHDYMSUOFIOFD-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-5-phenylimidazolidin-4-one
CID 83238128
3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one
CID 113464305
3-(cyclobutylmethyl)-5-phenylimidazolidin-4-one
CID 83244563
3-(2-methoxy-2-methylpropyl)-5-phenylimidazolidin-4-one
CID 113451090
3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one
CID 83256903
3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one
CID 83246148
3-pentan-2-yl-5-phenylimidazolidin-4-one
CID 83239900
5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
CID 83249113
3-[1-(diethylamino)propan-2-yl]-5-phenylimidazolidin-4-one
CID 83249374
3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one
CID 113478436
3-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
CID 84571226
3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one
CID 83263461

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one?
The IUPAC name of 3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one (CID 83258403) is 3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one is CC(C)C(C)CN1CNC(c2ccccc2)C1=O.
What is the InChIKey of 3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one?
The InChIKey is YGHDYMSUOFIOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)12(3)9-17-10-16-14(15(17)18)13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10H2,1-3H3.
What are the key properties of 3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one?
3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one has a molecular weight of 246.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83258403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).