N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide

C14H22N4O2 — CID 84585087

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NCCc1nccn1C)N1CCCC1=O
InChIInChI=1S/C14H22N4O2/c1-3-11(18-9-4-5-13(18)19)14(20)16-7-6-12-15-8-10-17(12)2/h8,10-11H,3-7,9H2,1-2H3,(H,16,20)
InChIKeyLIUGPTGJMSGAGH-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.48
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide

N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 84585087) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID84585087
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NCCc1nccn1C)N1CCCC1=O
InChIInChI=1S/C14H22N4O2/c1-3-11(18-9-4-5-13(18)19)14(20)16-7-6-12-15-8-10-17(12)2/h8,10-11H,3-7,9H2,1-2H3,(H,16,20)
InChIKeyLIUGPTGJMSGAGH-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065550
1-[4-(2-Ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065551
3-(2-Imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 47164586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
3-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2-thioxo-4-imidazolidinone
CID 902193
2,2,3,3-tetrafluoro-N,N'-bis[3-(1H-imidazol-1-yl)propyl]succinamide
CID 2932359
(2S)-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]-2-(pentan-3-ylamino)pentanamide
CID 54585771
N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
CID 3122124
(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
CID 11851249
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
(5S)-3-[3-(1H-imidazol-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 7068409
N-tert-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361563

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide (CID 84585087) is N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide is CCC(C(=O)NCCc1nccn1C)N1CCCC1=O.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is LIUGPTGJMSGAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-11(18-9-4-5-13(18)19)14(20)16-7-6-12-15-8-10-17(12)2/h8,10-11H,3-7,9H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 278.36 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 84585087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).