5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one

C12H19F3N2O — CID 106216202

IUPAC5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one
SMILESCCCCC1NC(C)N(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C12H19F3N2O/c1-3-4-5-9-10(18)17(8(2)16-9)11(6-7-11)12(13,14)15/h8-9,16H,3-7H2,1-2H3
InChIKeyZOKHKRQUXKBKCW-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.42
Rot. Bonds4

About 5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one

5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one (PubChem CID 106216202) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one
PubChem CID106216202
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one
SMILESCCCCC1NC(C)N(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C12H19F3N2O/c1-3-4-5-9-10(18)17(8(2)16-9)11(6-7-11)12(13,14)15/h8-9,16H,3-7H2,1-2H3
InChIKeyZOKHKRQUXKBKCW-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
The IUPAC name of 5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one (CID 106216202) is 5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one is CCCCC1NC(C)N(C2(C(F)(F)F)CC2)C1=O.
What is the InChIKey of 5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
The InChIKey is ZOKHKRQUXKBKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-3-4-5-9-10(18)17(8(2)16-9)11(6-7-11)12(13,14)15/h8-9,16H,3-7H2,1-2H3.
What are the key properties of 5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one has a molecular weight of 264.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one is sourced from PubChem (CID 106216202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).