2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one

C13H16FN3O — CID 82998276

IUPAC2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)(C)NC1=NC(c2ccccc2F)C(=O)N1
InChIInChI=1S/C13H16FN3O/c1-13(2,3)17-12-15-10(11(18)16-12)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H2,15,16,17,18)
InChIKeyFBAMVPBIIGLBFM-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.74
Rot. Bonds1

About 2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one

2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one (PubChem CID 82998276) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one
PubChem CID82998276
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)(C)NC1=NC(c2ccccc2F)C(=O)N1
InChIInChI=1S/C13H16FN3O/c1-13(2,3)17-12-15-10(11(18)16-12)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H2,15,16,17,18)
InChIKeyFBAMVPBIIGLBFM-UHFFFAOYSA-N
XLogP1.74
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one
CID 82998196
4-(3-bromo-4-fluorophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one
CID 82998450
4-tert-butyl-2-(tert-butylamino)-1,4-dihydroimidazol-5-one
CID 82998969
2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one
CID 82996873
2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one
CID 82999049
2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one
CID 82997789
4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile
CID 22621516
ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one
CID 145079036
2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one
CID 82996740
3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one
CID 83247055
3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one
CID 112680399
2-(2-aminoethyl)-5-(2-fluorophenyl)-1H-pyrimidine-4,6-dione
CID 79502012

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one (CID 82998276) is 2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one is CC(C)(C)NC1=NC(c2ccccc2F)C(=O)N1.
What is the InChIKey of 2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one?
The InChIKey is FBAMVPBIIGLBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-13(2,3)17-12-15-10(11(18)16-12)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one?
2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one has a molecular weight of 249.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82998276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).