2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one

C16H24N2O — CID 83239108

IUPAC2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one
SMILESCCCC(C)N1C(=O)C(c2ccccc2)NC1CC
InChIInChI=1S/C16H24N2O/c1-4-9-12(3)18-14(5-2)17-15(16(18)19)13-10-7-6-8-11-13/h6-8,10-12,14-15,17H,4-5,9H2,1-3H3
InChIKeyPSKCZSKHKRGRKD-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.08
Rot. Bonds5

About 2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one

2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one (PubChem CID 83239108) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one
PubChem CID83239108
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one
SMILESCCCC(C)N1C(=O)C(c2ccccc2)NC1CC
InChIInChI=1S/C16H24N2O/c1-4-9-12(3)18-14(5-2)17-15(16(18)19)13-10-7-6-8-11-13/h6-8,10-12,14-15,17H,4-5,9H2,1-3H3
InChIKeyPSKCZSKHKRGRKD-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one?
The IUPAC name of 2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one (CID 83239108) is 2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one.
What is the SMILES notation for 2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one?
The canonical SMILES for 2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one is CCCC(C)N1C(=O)C(c2ccccc2)NC1CC.
What is the InChIKey of 2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one?
The InChIKey is PSKCZSKHKRGRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-9-12(3)18-14(5-2)17-15(16(18)19)13-10-7-6-8-11-13/h6-8,10-12,14-15,17H,4-5,9H2,1-3H3.
What are the key properties of 2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one?
2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one has a molecular weight of 260.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83239108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).