4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one

C6H8F3N3O — CID 82400681

IUPAC4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one
SMILESCCn1c(N)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C6H8F3N3O/c1-2-12-4(10)3(6(7,8)9)11-5(12)13/h2,10H2,1H3,(H,11,13)
InChIKeyBZHILEQTPNSMJF-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.80
Rot. Bonds1

About 4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one

4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one (PubChem CID 82400681) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one
PubChem CID82400681
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one
SMILESCCn1c(N)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C6H8F3N3O/c1-2-12-4(10)3(6(7,8)9)11-5(12)13/h2,10H2,1H3,(H,11,13)
InChIKeyBZHILEQTPNSMJF-UHFFFAOYSA-N
XLogP0.80
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-ethyl-5-isocyano-1H-imidazol-2-one
CID 58942859
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CID 115486574
6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione
CID 4962458
6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 113248927
3-amino-4-ethyl-1H-1,2,4-triazol-5-one
CID 153114196
6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
CID 115613202
6-amino-1-ethyl-5-[(4-fluorophenyl)methylamino]pyrimidine-2,4-dione
CID 60649008
6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione
CID 103704594
6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione
CID 79106040
6-amino-1-ethyl-5-[1-(4-methylphenyl)ethylamino]pyrimidine-2,4-dione
CID 60967574
6-amino-1-ethyl-5-(hexan-3-ylamino)pyrimidine-2,4-dione
CID 55030966
6-amino-1-ethyl-5-[(1-methylcyclobutyl)amino]pyrimidine-2,4-dione
CID 115765441

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one?
The IUPAC name of 4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one (CID 82400681) is 4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one.
What is the SMILES notation for 4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one?
The canonical SMILES for 4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one is CCn1c(N)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one?
The InChIKey is BZHILEQTPNSMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-2-12-4(10)3(6(7,8)9)11-5(12)13/h2,10H2,1H3,(H,11,13).
What are the key properties of 4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one?
4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one has a molecular weight of 195.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one is sourced from PubChem (CID 82400681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).