4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one

C11H16F3N3O — CID 116536455

IUPAC4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
SMILESCC1(CCCC(F)(F)F)C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C11H16F3N3O/c1-10(5-2-6-11(12,13)14)8(15)16-9(18)17(10)7-3-4-7/h7H,2-6H2,1H3,(H2,15,16,18)
InChIKeyXOUHULFTUZBWHT-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.43
Rot. Bonds4

About 4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one

4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one (PubChem CID 116536455) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
PubChem CID116536455
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
SMILESCC1(CCCC(F)(F)F)C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C11H16F3N3O/c1-10(5-2-6-11(12,13)14)8(15)16-9(18)17(10)7-3-4-7/h7H,2-6H2,1H3,(H2,15,16,18)
InChIKeyXOUHULFTUZBWHT-UHFFFAOYSA-N
XLogP2.43
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one (CID 116536455) is 4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one is CC1(CCCC(F)(F)F)C(N)=NC(=O)N1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The InChIKey is XOUHULFTUZBWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-10(5-2-6-11(12,13)14)8(15)16-9(18)17(10)7-3-4-7/h7H,2-6H2,1H3,(H2,15,16,18).
What are the key properties of 4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one has a molecular weight of 263.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one is sourced from PubChem (CID 116536455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).