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

C11H12FN3O — CID 79961456

IUPAC5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccccc1F
InChIInChI=1S/C11H12FN3O/c1-2-15-9(10(13)14-11(15)16)7-5-3-4-6-8(7)12/h3-6,9H,2H2,1H3,(H2,13,14,16)
InChIKeyNMSMNTHZOBTKNJ-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.68
Rot. Bonds2

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

5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one (PubChem CID 79961456) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
PubChem CID79961456
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccccc1F
InChIInChI=1S/C11H12FN3O/c1-2-15-9(10(13)14-11(15)16)7-5-3-4-6-8(7)12/h3-6,9H,2H2,1H3,(H2,13,14,16)
InChIKeyNMSMNTHZOBTKNJ-UHFFFAOYSA-N
XLogP1.68
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
CID 79967176
5-amino-4-(2,4-difluorophenyl)-3-ethyl-4H-imidazol-2-one
CID 79967737
5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
CID 79961258
5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one
CID 104505449
5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one
CID 83095040
5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
CID 113328663
5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one
CID 79967736
5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one
CID 112749216
5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 114867921
5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one
CID 83094848
5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 79967632

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one (CID 79961456) is 5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1c1ccccc1F.
What is the InChIKey of 5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one?
The InChIKey is NMSMNTHZOBTKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-2-15-9(10(13)14-11(15)16)7-5-3-4-6-8(7)12/h3-6,9H,2H2,1H3,(H2,13,14,16).
What are the key properties of 5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one?
5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one has a molecular weight of 221.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79961456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).