N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C13H20N4O2 — CID 115668365

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCCc2ncc[nH]2)CC1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)17-8-10(7-12(17)18)13(19)16-4-3-11-14-5-6-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyXPDSZPIWYPTDHS-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.33
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 115668365) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID115668365
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCCc2ncc[nH]2)CC1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)17-8-10(7-12(17)18)13(19)16-4-3-11-14-5-6-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyXPDSZPIWYPTDHS-UHFFFAOYSA-N
XLogP0.33
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 49355941
(3S)-1-benzyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 124606549
(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620
1-(2-ethyl-6-methylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122570358
(3R)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 94338423
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119073659
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 126427764
N-(5-hydroxypentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 107318400
N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108538490
1-(cyclopropanecarbonyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 115620012
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 51937367
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 115668365) is N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NCCc2ncc[nH]2)CC1=O.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is XPDSZPIWYPTDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)17-8-10(7-12(17)18)13(19)16-4-3-11-14-5-6-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,19).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 115668365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).