5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one

C12H15N3O — CID 79961241

IUPAC5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one
SMILESCc1cccc(C2C(N)=NC(=O)N2C)c1C
InChIInChI=1S/C12H15N3O/c1-7-5-4-6-9(8(7)2)10-11(13)14-12(16)15(10)3/h4-6,10H,1-3H3,(H2,13,14,16)
InChIKeyGPPPIHCWVQUXGQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds1

About 5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one

5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one (PubChem CID 79961241) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one
PubChem CID79961241
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one
SMILESCc1cccc(C2C(N)=NC(=O)N2C)c1C
InChIInChI=1S/C12H15N3O/c1-7-5-4-6-9(8(7)2)10-11(13)14-12(16)15(10)3/h4-6,10H,1-3H3,(H2,13,14,16)
InChIKeyGPPPIHCWVQUXGQ-UHFFFAOYSA-N
XLogP1.77
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one
CID 79959271
2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile
CID 107937146
5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
CID 79961258
5-amino-4-(6-methoxy-3-pyridinyl)-3-methyl-4H-imidazol-2-one
CID 114939049
5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
CID 79967176
5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
CID 79961456
5-(2,3-dimethylphenyl)imidazolidine-2,4-dione
CID 62871197
5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one
CID 83095040
5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
CID 79961022
4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79960820
5-amino-3-but-3-yn-2-yl-4-(2,3-dichlorophenyl)-4H-imidazol-2-one
CID 114420721

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one (CID 79961241) is 5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one is Cc1cccc(C2C(N)=NC(=O)N2C)c1C.
What is the InChIKey of 5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one?
The InChIKey is GPPPIHCWVQUXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-5-4-6-9(8(7)2)10-11(13)14-12(16)15(10)3/h4-6,10H,1-3H3,(H2,13,14,16).
What are the key properties of 5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one?
5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 79961241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).