2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one

C11H13N3O — CID 82997474

IUPAC2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one
SMILESCc1ccccc1C1(C)N=C(N)NC1=O
InChIInChI=1S/C11H13N3O/c1-7-5-3-4-6-8(7)11(2)9(15)13-10(12)14-11/h3-6H,1-2H3,(H3,12,13,14,15)
InChIKeyCSUVFFGINDQFFN-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.65
Rot. Bonds1

About 2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one

2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one (PubChem CID 82997474) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one
PubChem CID82997474
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one
SMILESCc1ccccc1C1(C)N=C(N)NC1=O
InChIInChI=1S/C11H13N3O/c1-7-5-3-4-6-8(7)11(2)9(15)13-10(12)14-11/h3-6H,1-2H3,(H3,12,13,14,15)
InChIKeyCSUVFFGINDQFFN-UHFFFAOYSA-N
XLogP0.65
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one (CID 82997474) is 2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one is Cc1ccccc1C1(C)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one?
The InChIKey is CSUVFFGINDQFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-5-3-4-6-8(7)11(2)9(15)13-10(12)14-11/h3-6H,1-2H3,(H3,12,13,14,15).
What are the key properties of 2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one?
2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one has a molecular weight of 203.25 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 82997474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).