3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one

C17H26N2O2 — CID 83247056

IUPAC3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
SMILESCCCOc1ccc(C2NCC(=O)N2CC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-5-10-21-14-8-6-13(7-9-14)16-18-11-15(20)19(16)12-17(2,3)4/h6-9,16,18H,5,10-12H2,1-4H3
InChIKeyTUKYIWVFQYUHED-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds5

About 3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one

3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one (PubChem CID 83247056) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
PubChem CID83247056
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
SMILESCCCOc1ccc(C2NCC(=O)N2CC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-5-10-21-14-8-6-13(7-9-14)16-18-11-15(20)19(16)12-17(2,3)4/h6-9,16,18H,5,10-12H2,1-4H3
InChIKeyTUKYIWVFQYUHED-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-(4-propoxyphenyl)-3-propylimidazolidin-4-one
CID 115282100
3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83242129
3-(2-ethoxyethyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83232922
3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one
CID 83256551
2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one
CID 83256713
2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 115282346
2-(4-ethoxyphenyl)-3-(3-methylbutyl)imidazolidin-4-one
CID 83236919
3-(2-methoxy-2-methylpropyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 114983375
3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one
CID 83247059
2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260276
3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83247057
3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83253672

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one (CID 83247056) is 3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one is CCCOc1ccc(C2NCC(=O)N2CC(C)(C)C)cc1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one?
The InChIKey is TUKYIWVFQYUHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-10-21-14-8-6-13(7-9-14)16-18-11-15(20)19(16)12-17(2,3)4/h6-9,16,18H,5,10-12H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one?
3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one is sourced from PubChem (CID 83247056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).