1-anilino-2,4-dimethyl-4H-imidazol-5-one

C11H13N3O — CID 143749093

IUPAC1-anilino-2,4-dimethyl-4H-imidazol-5-one
SMILESCC1=NC(C)C(=O)N1Nc1ccccc1
InChIInChI=1S/C11H13N3O/c1-8-11(15)14(9(2)12-8)13-10-6-4-3-5-7-10/h3-8,13H,1-2H3
InChIKeyJNGAATKDOOGFRE-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.66
Rot. Bonds2

About 1-anilino-2,4-dimethyl-4H-imidazol-5-one

1-anilino-2,4-dimethyl-4H-imidazol-5-one (PubChem CID 143749093) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-anilino-2,4-dimethyl-4H-imidazol-5-one.

Molecular Properties

Compound Name1-anilino-2,4-dimethyl-4H-imidazol-5-one
PubChem CID143749093
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-anilino-2,4-dimethyl-4H-imidazol-5-one
SMILESCC1=NC(C)C(=O)N1Nc1ccccc1
InChIInChI=1S/C11H13N3O/c1-8-11(15)14(9(2)12-8)13-10-6-4-3-5-7-10/h3-8,13H,1-2H3
InChIKeyJNGAATKDOOGFRE-UHFFFAOYSA-N
XLogP1.66
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-2,4-dimethyl-4H-imidazol-5-one?
The IUPAC name of 1-anilino-2,4-dimethyl-4H-imidazol-5-one (CID 143749093) is 1-anilino-2,4-dimethyl-4H-imidazol-5-one.
What is the SMILES notation for 1-anilino-2,4-dimethyl-4H-imidazol-5-one?
The canonical SMILES for 1-anilino-2,4-dimethyl-4H-imidazol-5-one is CC1=NC(C)C(=O)N1Nc1ccccc1.
What is the InChIKey of 1-anilino-2,4-dimethyl-4H-imidazol-5-one?
The InChIKey is JNGAATKDOOGFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-11(15)14(9(2)12-8)13-10-6-4-3-5-7-10/h3-8,13H,1-2H3.
What are the key properties of 1-anilino-2,4-dimethyl-4H-imidazol-5-one?
1-anilino-2,4-dimethyl-4H-imidazol-5-one has a molecular weight of 203.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-2,4-dimethyl-4H-imidazol-5-one is sourced from PubChem (CID 143749093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).