N-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide

C12H13N3O2 — CID 1105626

IUPACN-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N=C(C)N1c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-8-13-12(17)11(14-9(2)16)15(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyMNYADYPOXDBJDA-LLVKDONJSA-N
MW231.25 g/mol
LogP0.91
Rot. Bonds2

About N-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide

N-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide (PubChem CID 1105626) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide
PubChem CID1105626
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N=C(C)N1c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-8-13-12(17)11(14-9(2)16)15(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyMNYADYPOXDBJDA-LLVKDONJSA-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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Related Compounds

N-(2-methyl-3-phenyl-1,3-thiazolidin-4-yl)acetamide
CID 121014402
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792
methyl 3-[[(3R,4S)-2-oxo-1,4-diphenylazetidin-3-yl]amino]but-2-enoate
CID 70577054
N-[(4R)-4-chloro-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 98157977
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
3-methyl-4-phenyl-3H-1,2,4-triazol-5-one
CID 86255642
3-methyl-7-oxo-4-phenyl-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 56619589
N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110630711
methyl (E)-3-[[(3R,4S)-2-oxo-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-3-yl]amino]but-2-enoate
CID 70574548
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 4996263
3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
CID 71998925

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide?
The IUPAC name of N-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide (CID 1105626) is N-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide.
What is the SMILES notation for N-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide?
The canonical SMILES for N-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide is CC(=O)N[C@H]1C(=O)N=C(C)N1c1ccccc1.
What is the InChIKey of N-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide?
The InChIKey is MNYADYPOXDBJDA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-13-12(17)11(14-9(2)16)15(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide?
N-[(4R)-2-methyl-5-oxo-3-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-[(4R)-2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl]acetamide is sourced from PubChem (CID 1105626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).