2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one

C27H38N2O2 — CID 68733440

IUPAC2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)C(CC(C)C)N(C)C2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H38N2O2/c1-19(2)18-24-26(30)29(17-16-20-8-14-23(31-7)15-9-20)25(28(24)6)21-10-12-22(13-11-21)27(3,4)5/h8-15,19,24-25H,16-18H2,1-7H3
InChIKeyFMFSWRDRARPTAD-UHFFFAOYSA-N
MW422.61 g/mol
LogP5.42
Rot. Bonds7

About 2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one

2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 68733440) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID68733440
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)C(CC(C)C)N(C)C2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H38N2O2/c1-19(2)18-24-26(30)29(17-16-20-8-14-23(31-7)15-9-20)25(28(24)6)21-10-12-22(13-11-21)27(3,4)5/h8-15,19,24-25H,16-18H2,1-7H3
InChIKeyFMFSWRDRARPTAD-UHFFFAOYSA-N
XLogP5.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one (CID 68733440) is 2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one is COc1ccc(CCN2C(=O)C(CC(C)C)N(C)C2c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is FMFSWRDRARPTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-19(2)18-24-26(30)29(17-16-20-8-14-23(31-7)15-9-20)25(28(24)6)21-10-12-22(13-11-21)27(3,4)5/h8-15,19,24-25H,16-18H2,1-7H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one?
2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 422.61 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 68733440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).