2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one

C10H8F3N3O2 — CID 82996740

IUPAC2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2ccccc2OC(F)(F)F)C(=O)N1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)18-6-4-2-1-3-5(6)7-8(17)16-9(14)15-7/h1-4,7H,(H3,14,15,16,17)
InChIKeyXCPFFIQMXQQTEV-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.07
Rot. Bonds2

About 2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one

2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one (PubChem CID 82996740) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one
PubChem CID82996740
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2ccccc2OC(F)(F)F)C(=O)N1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)18-6-4-2-1-3-5(6)7-8(17)16-9(14)15-7/h1-4,7H,(H3,14,15,16,17)
InChIKeyXCPFFIQMXQQTEV-UHFFFAOYSA-N
XLogP1.07
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one
CID 82996873
1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 138390155
2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81415007
(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
CID 83128862
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one
CID 64521913
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64505049
2-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 24697394
3-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]cyclohexa-2,5-diene-1,1-diamine
CID 138607506
2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one
CID 83093819
1-[2-(trifluoromethoxy)phenyl]-1,2-dihydroisoquinoline
CID 152694944

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one (CID 82996740) is 2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one is NC1=NC(c2ccccc2OC(F)(F)F)C(=O)N1.
What is the InChIKey of 2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one?
The InChIKey is XCPFFIQMXQQTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)18-6-4-2-1-3-5(6)7-8(17)16-9(14)15-7/h1-4,7H,(H3,14,15,16,17).
What are the key properties of 2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one?
2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one has a molecular weight of 259.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82996740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).