3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one

C17H26N2O2 — CID 83262898

IUPAC3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one
SMILESCCC(CC)C(C)N1C(=O)CNC1c1cccc(OC)c1
InChIInChI=1S/C17H26N2O2/c1-5-13(6-2)12(3)19-16(20)11-18-17(19)14-8-7-9-15(10-14)21-4/h7-10,12-13,17-18H,5-6,11H2,1-4H3
InChIKeyIHTXNHZQEFKKRU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds6

About 3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one

3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one (PubChem CID 83262898) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one
PubChem CID83262898
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one
SMILESCCC(CC)C(C)N1C(=O)CNC1c1cccc(OC)c1
InChIInChI=1S/C17H26N2O2/c1-5-13(6-2)12(3)19-16(20)11-18-17(19)14-8-7-9-15(10-14)21-4/h7-10,12-13,17-18H,5-6,11H2,1-4H3
InChIKeyIHTXNHZQEFKKRU-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83253333
3-[2-(dimethylamino)propyl]-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83249778
3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83262651
3-cyclopentyl-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83242750
3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one
CID 83239586
2-(2,5-dimethylphenyl)-3-(3-ethylpentan-2-yl)imidazolidin-4-one
CID 83262876
2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242756
2-(4-fluorophenyl)-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246051
5-butan-2-yl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
CID 83262375
2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
CID 83262999
2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242836
2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83253145

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one?
The IUPAC name of 3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one (CID 83262898) is 3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one is CCC(CC)C(C)N1C(=O)CNC1c1cccc(OC)c1.
What is the InChIKey of 3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one?
The InChIKey is IHTXNHZQEFKKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-13(6-2)12(3)19-16(20)11-18-17(19)14-8-7-9-15(10-14)21-4/h7-10,12-13,17-18H,5-6,11H2,1-4H3.
What are the key properties of 3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one?
3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one is sourced from PubChem (CID 83262898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).