N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide

C13H15N3O — CID 686405

IUPACN-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide
SMILESCc1ccc(NC(=O)Cn2ccnc2)cc1C
InChIInChI=1S/C13H15N3O/c1-10-3-4-12(7-11(10)2)15-13(17)8-16-6-5-14-9-16/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyZOJVBEHYEJFZEC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.14
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide

N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide (PubChem CID 686405) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide
PubChem CID686405
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide
SMILESCc1ccc(NC(=O)Cn2ccnc2)cc1C
InChIInChI=1S/C13H15N3O/c1-10-3-4-12(7-11(10)2)15-13(17)8-16-6-5-14-9-16/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyZOJVBEHYEJFZEC-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide (CID 686405) is N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide is Cc1ccc(NC(=O)Cn2ccnc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide?
The InChIKey is ZOJVBEHYEJFZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-3-4-12(7-11(10)2)15-13(17)8-16-6-5-14-9-16/h3-7,9H,8H2,1-2H3,(H,15,17).
What are the key properties of N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide?
N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide has a molecular weight of 229.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-imidazol-1-ylacetamide is sourced from PubChem (CID 686405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).