2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one

C18H28N2O — CID 114921334

IUPAC2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one
SMILESCCC1NC(CCc2ccccc2)C(=O)N1CCC(C)C
InChIInChI=1S/C18H28N2O/c1-4-17-19-16(11-10-15-8-6-5-7-9-15)18(21)20(17)13-12-14(2)3/h5-9,14,16-17,19H,4,10-13H2,1-3H3
InChIKeyBRRKHKUZBKRMQE-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.20
Rot. Bonds7

About 2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one

2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one (PubChem CID 114921334) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one
PubChem CID114921334
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one
SMILESCCC1NC(CCc2ccccc2)C(=O)N1CCC(C)C
InChIInChI=1S/C18H28N2O/c1-4-17-19-16(11-10-15-8-6-5-7-9-15)18(21)20(17)13-12-14(2)3/h5-9,14,16-17,19H,4,10-13H2,1-3H3
InChIKeyBRRKHKUZBKRMQE-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-(2-methylpropyl)-5-(2-phenylethyl)imidazolidin-4-one
CID 114921798
2-ethyl-5-(2-phenylethyl)-3-propylimidazolidin-4-one
CID 114921936
3-(cyclopropylmethyl)-2-ethyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114922068
5-benzyl-2-(2-methylpropyl)-3-propylimidazolidin-4-one
CID 83243023
2-methyl-5-(2-phenylethyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114928963
2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one
CID 107819252
3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114926561
5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242743
3-(2-cyclopropylpropyl)-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114929268
5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83232217
3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83251512
3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83238566

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one?
The IUPAC name of 2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one (CID 114921334) is 2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one.
What is the SMILES notation for 2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one?
The canonical SMILES for 2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one is CCC1NC(CCc2ccccc2)C(=O)N1CCC(C)C.
What is the InChIKey of 2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one?
The InChIKey is BRRKHKUZBKRMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-17-19-16(11-10-15-8-6-5-7-9-15)18(21)20(17)13-12-14(2)3/h5-9,14,16-17,19H,4,10-13H2,1-3H3.
What are the key properties of 2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one?
2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one is sourced from PubChem (CID 114921334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).