2-amino-3-methyl-4H-imidazol-5-one;benzoic acid

C11H13N3O3 — CID 10192729

IUPAC2-amino-3-methyl-4H-imidazol-5-one;benzoic acid
SMILESCN1CC(=O)N=C1N.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C4H7N3O/c8-7(9)6-4-2-1-3-5-6;1-7-2-3(8)6-4(7)5/h1-5H,(H,8,9);2H2,1H3,(H2,5,6,8)
InChIKeyGBTJJJUANWCFAS-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.16
Rot. Bonds1

About 2-amino-3-methyl-4H-imidazol-5-one;benzoic acid

2-amino-3-methyl-4H-imidazol-5-one;benzoic acid (PubChem CID 10192729) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-amino-3-methyl-4H-imidazol-5-one;benzoic acid.

Molecular Properties

Compound Name2-amino-3-methyl-4H-imidazol-5-one;benzoic acid
PubChem CID10192729
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-amino-3-methyl-4H-imidazol-5-one;benzoic acid
SMILESCN1CC(=O)N=C1N.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C4H7N3O/c8-7(9)6-4-2-1-3-5-6;1-7-2-3(8)6-4(7)5/h1-5H,(H,8,9);2H2,1H3,(H2,5,6,8)
InChIKeyGBTJJJUANWCFAS-UHFFFAOYSA-N
XLogP0.16
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-4H-imidazol-5-one;benzoic acid?
The IUPAC name of 2-amino-3-methyl-4H-imidazol-5-one;benzoic acid (CID 10192729) is 2-amino-3-methyl-4H-imidazol-5-one;benzoic acid.
What is the SMILES notation for 2-amino-3-methyl-4H-imidazol-5-one;benzoic acid?
The canonical SMILES for 2-amino-3-methyl-4H-imidazol-5-one;benzoic acid is CN1CC(=O)N=C1N.O=C(O)c1ccccc1.
What is the InChIKey of 2-amino-3-methyl-4H-imidazol-5-one;benzoic acid?
The InChIKey is GBTJJJUANWCFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C4H7N3O/c8-7(9)6-4-2-1-3-5-6;1-7-2-3(8)6-4(7)5/h1-5H,(H,8,9);2H2,1H3,(H2,5,6,8).
What are the key properties of 2-amino-3-methyl-4H-imidazol-5-one;benzoic acid?
2-amino-3-methyl-4H-imidazol-5-one;benzoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-4H-imidazol-5-one;benzoic acid is sourced from PubChem (CID 10192729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).