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

C13H17N3O — CID 79967176

IUPAC5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
SMILESCCc1ccccc1C1C(N)=NC(=O)N1CC
InChIInChI=1S/C13H17N3O/c1-3-9-7-5-6-8-10(9)11-12(14)15-13(17)16(11)4-2/h5-8,11H,3-4H2,1-2H3,(H2,14,15,17)
InChIKeyOHSWSOINMRCAEW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds3

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

5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one (PubChem CID 79967176) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
PubChem CID79967176
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
SMILESCCc1ccccc1C1C(N)=NC(=O)N1CC
InChIInChI=1S/C13H17N3O/c1-3-9-7-5-6-8-10(9)11-12(14)15-13(17)16(11)4-2/h5-8,11H,3-4H2,1-2H3,(H2,14,15,17)
InChIKeyOHSWSOINMRCAEW-UHFFFAOYSA-N
XLogP2.10
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
CID 79961456
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-naphthalen-1-yl-3-propyl-4H-imidazol-2-one
CID 79960476
5-amino-4-(2,4-difluorophenyl)-3-ethyl-4H-imidazol-2-one
CID 79967737
5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one
CID 112749216
5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one
CID 79973555
5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one
CID 79967736
5-amino-3-ethyl-4-(2-methylquinolin-6-yl)-4H-imidazol-2-one
CID 105379816
5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one
CID 83094848

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one (CID 79967176) is 5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one is CCc1ccccc1C1C(N)=NC(=O)N1CC.
What is the InChIKey of 5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one?
The InChIKey is OHSWSOINMRCAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-9-7-5-6-8-10(9)11-12(14)15-13(17)16(11)4-2/h5-8,11H,3-4H2,1-2H3,(H2,14,15,17).
What are the key properties of 5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one?
5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.10, 3 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-ethylphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79967176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).