2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide

C8H11N3O3 — CID 144562086

IUPAC2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide
SMILESCn1c(CC(=O)NCC=O)c[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-11-6(5-10-8(11)14)4-7(13)9-2-3-12/h3,5H,2,4H2,1H3,(H,9,13)(H,10,14)
InChIKeyHJKXIUUDDJXHIV-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.43
Rot. Bonds4

About 2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide

2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide (PubChem CID 144562086) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide
PubChem CID144562086
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide
SMILESCn1c(CC(=O)NCC=O)c[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-11-6(5-10-8(11)14)4-7(13)9-2-3-12/h3,5H,2,4H2,1H3,(H,9,13)(H,10,14)
InChIKeyHJKXIUUDDJXHIV-UHFFFAOYSA-N
XLogP-1.43
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-2-oxo-1H-imidazol-5-yl)acetaldehyde
CID 123177948
(2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal
CID 171650390
N,N-diethyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629707
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide
CID 23629708
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipropylacetamide
CID 23629709
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propan-2-ylacetamide
CID 23629710
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-di(propan-2-yl)acetamide
CID 23629711
N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629712
N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629713
N-butan-2-yl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629714
N,N-di(butan-2-yl)-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629740
N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629741

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide?
The IUPAC name of 2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide (CID 144562086) is 2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide?
The canonical SMILES for 2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide is Cn1c(CC(=O)NCC=O)c[nH]c1=O.
What is the InChIKey of 2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide?
The InChIKey is HJKXIUUDDJXHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11-6(5-10-8(11)14)4-7(13)9-2-3-12/h3,5H,2,4H2,1H3,(H,9,13)(H,10,14).
What are the key properties of 2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide?
2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide has a molecular weight of 197.19 g/mol, XLogP of -1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 144562086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).