N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide

C12H13N3O2 — CID 654601

IUPACN-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide
SMILESCC(=O)NC1N=C(C)N(c2ccccc2)C1=O
InChIInChI=1S/C12H13N3O2/c1-8-13-11(14-9(2)16)12(17)15(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,14,16)
InChIKeySOHLDDMJMPDFDQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.91
Rot. Bonds2

About N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide

N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide (PubChem CID 654601) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide
PubChem CID654601
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide
SMILESCC(=O)NC1N=C(C)N(c2ccccc2)C1=O
InChIInChI=1S/C12H13N3O2/c1-8-13-11(14-9(2)16)12(17)15(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,14,16)
InChIKeySOHLDDMJMPDFDQ-UHFFFAOYSA-N
XLogP0.91
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide (CID 654601) is N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide is CC(=O)NC1N=C(C)N(c2ccccc2)C1=O.
What is the InChIKey of N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide?
The InChIKey is SOHLDDMJMPDFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-13-11(14-9(2)16)12(17)15(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,14,16).
What are the key properties of N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide?
N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide has a molecular weight of 231.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-oxo-1-phenyl-4H-imidazol-4-yl)acetamide is sourced from PubChem (CID 654601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).