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

C9H14F3N3O — CID 116536457

IUPAC4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
SMILESCN1C(=O)N=C(N)C1(C)CCCC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-8(4-3-5-9(10,11)12)6(13)14-7(16)15(8)2/h3-5H2,1-2H3,(H2,13,14,16)
InChIKeyYEHUTWAMOKAEFE-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.90
Rot. Bonds3

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

4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one (PubChem CID 116536457) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one.

Molecular Properties

Compound Name4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
PubChem CID116536457
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
SMILESCN1C(=O)N=C(N)C1(C)CCCC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-8(4-3-5-9(10,11)12)6(13)14-7(16)15(8)2/h3-5H2,1-2H3,(H2,13,14,16)
InChIKeyYEHUTWAMOKAEFE-UHFFFAOYSA-N
XLogP1.90
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959714
4-Amino-1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960712
4-Amino-5-methyl-1-propyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 113534031
4-Amino-5-methyl-1-propan-2-yl-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 113534032
4-Amino-5-methyl-1-prop-2-ynyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 113534033
4-Amino-1-but-3-yn-2-yl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 114420762
4-amino-5-methyl-5-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
CID 116536454
4-Amino-1-cyclopropyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 116536455
4-Amino-5-methyl-1-(2-methylpropyl)-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 116536456
4-Amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 116536458
4-Amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 116536461
4-Amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 55250806

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The IUPAC name of 4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one (CID 116536457) is 4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one.
What is the SMILES notation for 4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The canonical SMILES for 4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one is CN1C(=O)N=C(N)C1(C)CCCC(F)(F)F.
What is the InChIKey of 4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The InChIKey is YEHUTWAMOKAEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-8(4-3-5-9(10,11)12)6(13)14-7(16)15(8)2/h3-5H2,1-2H3,(H2,13,14,16).
What are the key properties of 4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one has a molecular weight of 237.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one is sourced from PubChem (CID 116536457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).