5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one

C11H10F3N3O2 — CID 79960131

IUPAC5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O2/c1-17-8(9(15)16-10(17)18)6-2-4-7(5-3-6)19-11(12,13)14/h2-5,8H,1H3,(H2,15,16,18)
InChIKeyCULKQGPKPNTBJH-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.05
Rot. Bonds2

About 5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one

5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one (PubChem CID 79960131) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one
PubChem CID79960131
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O2/c1-17-8(9(15)16-10(17)18)6-2-4-7(5-3-6)19-11(12,13)14/h2-5,8H,1H3,(H2,15,16,18)
InChIKeyCULKQGPKPNTBJH-UHFFFAOYSA-N
XLogP2.05
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 45817612
1-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 91922804
1-[2-(Dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 177643634
US20240262804, Example 176
CID 172430322
US20240262804, Example 177
CID 172430323
1-(2,2-Difluoroethyl)-1-methyl-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 56825734
3-[1-[4-(Difluoromethoxy)phenyl]ethyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 72145174
1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 95572648
1-(2,2-difluoroethyl)-3-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 100693256
4-Trifluoromethoxy-benzylurea
CID 38167396
4-amino-5-[4-(difluoromethoxy)phenyl]-5-phenyl-1H-imidazol-2-one
CID 67537260
1-(2-Aminoethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 68267412

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one (CID 79960131) is 5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one is CN1C(=O)N=C(N)C1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one?
The InChIKey is CULKQGPKPNTBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-17-8(9(15)16-10(17)18)6-2-4-7(5-3-6)19-11(12,13)14/h2-5,8H,1H3,(H2,15,16,18).
What are the key properties of 5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one?
5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one has a molecular weight of 273.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one is sourced from PubChem (CID 79960131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).