3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one

C17H26N2O — CID 114983586

IUPAC3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C17H26N2O/c1-11-7-8-14(12(2)9-11)16-18-10-15(20)19(16)13(3)17(4,5)6/h7-9,13,16,18H,10H2,1-6H3
InChIKeyIEBSHBWBEGNYHU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.17
Rot. Bonds2

About 3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one

3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one (PubChem CID 114983586) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
PubChem CID114983586
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C17H26N2O/c1-11-7-8-14(12(2)9-11)16-18-10-15(20)19(16)13(3)17(4,5)6/h7-9,13,16,18H,10H2,1-6H3
InChIKeyIEBSHBWBEGNYHU-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one (CID 114983586) is 3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2C(C)C(C)(C)C)c(C)c1.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one?
The InChIKey is IEBSHBWBEGNYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11-7-8-14(12(2)9-11)16-18-10-15(20)19(16)13(3)17(4,5)6/h7-9,13,16,18H,10H2,1-6H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one?
3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one is sourced from PubChem (CID 114983586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).