2-amino-1-methyl-4-phenyl-4H-imidazol-5-one

C10H11N3O — CID 54021123

IUPAC2-amino-1-methyl-4-phenyl-4H-imidazol-5-one
SMILESCN1C(=O)C(c2ccccc2)N=C1N
InChIInChI=1S/C10H11N3O/c1-13-9(14)8(12-10(13)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H2,11,12)
InChIKeyKYZIJLUSXGHGKE-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.51
Rot. Bonds1

About 2-amino-1-methyl-4-phenyl-4H-imidazol-5-one

2-amino-1-methyl-4-phenyl-4H-imidazol-5-one (PubChem CID 54021123) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-amino-1-methyl-4-phenyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-1-methyl-4-phenyl-4H-imidazol-5-one
PubChem CID54021123
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-amino-1-methyl-4-phenyl-4H-imidazol-5-one
SMILESCN1C(=O)C(c2ccccc2)N=C1N
InChIInChI=1S/C10H11N3O/c1-13-9(14)8(12-10(13)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H2,11,12)
InChIKeyKYZIJLUSXGHGKE-UHFFFAOYSA-N
XLogP0.51
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-4-phenyl-4H-imidazol-5-one?
The IUPAC name of 2-amino-1-methyl-4-phenyl-4H-imidazol-5-one (CID 54021123) is 2-amino-1-methyl-4-phenyl-4H-imidazol-5-one.
What is the SMILES notation for 2-amino-1-methyl-4-phenyl-4H-imidazol-5-one?
The canonical SMILES for 2-amino-1-methyl-4-phenyl-4H-imidazol-5-one is CN1C(=O)C(c2ccccc2)N=C1N.
What is the InChIKey of 2-amino-1-methyl-4-phenyl-4H-imidazol-5-one?
The InChIKey is KYZIJLUSXGHGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-9(14)8(12-10(13)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H2,11,12).
What are the key properties of 2-amino-1-methyl-4-phenyl-4H-imidazol-5-one?
2-amino-1-methyl-4-phenyl-4H-imidazol-5-one has a molecular weight of 189.22 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-4-phenyl-4H-imidazol-5-one is sourced from PubChem (CID 54021123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).