5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one

C16H24N2O2 — CID 83239253

IUPAC5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccc(OC)cc2)N(CC)C1=O
InChIInChI=1S/C16H24N2O2/c1-4-6-7-14-16(19)18(5-2)15(17-14)12-8-10-13(20-3)11-9-12/h8-11,14-15,17H,4-7H2,1-3H3
InChIKeyPVZINMKVVUDQEM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.70
Rot. Bonds6

About 5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one

5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one (PubChem CID 83239253) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
PubChem CID83239253
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccc(OC)cc2)N(CC)C1=O
InChIInChI=1S/C16H24N2O2/c1-4-6-7-14-16(19)18(5-2)15(17-14)12-8-10-13(20-3)11-9-12/h8-11,14-15,17H,4-7H2,1-3H3
InChIKeyPVZINMKVVUDQEM-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one (CID 83239253) is 5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one is CCCCC1NC(c2ccc(OC)cc2)N(CC)C1=O.
What is the InChIKey of 5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one?
The InChIKey is PVZINMKVVUDQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-6-7-14-16(19)18(5-2)15(17-14)12-8-10-13(20-3)11-9-12/h8-11,14-15,17H,4-7H2,1-3H3.
What are the key properties of 5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one?
5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one is sourced from PubChem (CID 83239253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).