1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one

C14H20N2O — CID 11218525

IUPAC1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(N2CN(C(C)(C)C)CC2=O)cc1
InChIInChI=1S/C14H20N2O/c1-11-5-7-12(8-6-11)16-10-15(9-13(16)17)14(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyRYIFZOUUGMMCRD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.40
Rot. Bonds1

About 1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one

1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one (PubChem CID 11218525) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one
PubChem CID11218525
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(N2CN(C(C)(C)C)CC2=O)cc1
InChIInChI=1S/C14H20N2O/c1-11-5-7-12(8-6-11)16-10-15(9-13(16)17)14(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyRYIFZOUUGMMCRD-UHFFFAOYSA-N
XLogP2.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of 1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one (CID 11218525) is 1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one is Cc1ccc(N2CN(C(C)(C)C)CC2=O)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is RYIFZOUUGMMCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-5-7-12(8-6-11)16-10-15(9-13(16)17)14(2,3)4/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one?
1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 232.33 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 11218525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).