N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide

C11H14N4O3 — CID 129303268

IUPACN-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CC(=O)N(CCc2cnc[nH]2)C1=O
InChIInChI=1S/C11H14N4O3/c1-7(16)14-9-4-10(17)15(11(9)18)3-2-8-5-12-6-13-8/h5-6,9H,2-4H2,1H3,(H,12,13)(H,14,16)
InChIKeyBBONNMJWEUEYPZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.78
Rot. Bonds4

About N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide

N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide (PubChem CID 129303268) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide
PubChem CID129303268
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CC(=O)N(CCc2cnc[nH]2)C1=O
InChIInChI=1S/C11H14N4O3/c1-7(16)14-9-4-10(17)15(11(9)18)3-2-8-5-12-6-13-8/h5-6,9H,2-4H2,1H3,(H,12,13)(H,14,16)
InChIKeyBBONNMJWEUEYPZ-UHFFFAOYSA-N
XLogP-0.78
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168663120
N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide
CID 70309768
1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
CID 65231833
4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one
CID 130804951
4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168685338
2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 54153226
1-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 136581475
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
CID 17324706
1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one
CID 138999835
ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide
CID 144964737
2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 23278346

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide (CID 129303268) is N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide is CC(=O)NC1CC(=O)N(CCc2cnc[nH]2)C1=O.
What is the InChIKey of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide?
The InChIKey is BBONNMJWEUEYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7(16)14-9-4-10(17)15(11(9)18)3-2-8-5-12-6-13-8/h5-6,9H,2-4H2,1H3,(H,12,13)(H,14,16).
What are the key properties of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide?
N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide has a molecular weight of 250.26 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 129303268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).