2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

C14H17F3N2O — CID 83259867

IUPAC2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CCCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c1-10-3-5-11(6-4-10)13-18-9-12(20)19(13)8-2-7-14(15,16)17/h3-6,13,18H,2,7-9H2,1H3
InChIKeyAWCNUQPAXUFFRK-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.77
Rot. Bonds4

About 2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (PubChem CID 83259867) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
PubChem CID83259867
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CCCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c1-10-3-5-11(6-4-10)13-18-9-12(20)19(13)8-2-7-14(15,16)17/h3-6,13,18H,2,7-9H2,1H3
InChIKeyAWCNUQPAXUFFRK-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (CID 83259867) is 2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2CCCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The InChIKey is AWCNUQPAXUFFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-10-3-5-11(6-4-10)13-18-9-12(20)19(13)8-2-7-14(15,16)17/h3-6,13,18H,2,7-9H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one has a molecular weight of 286.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is sourced from PubChem (CID 83259867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).