N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide

C11H16N4O2 — CID 653923

IUPACN-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCCn2ccnc2)N1
InChIInChI=1S/C11H16N4O2/c16-10-3-2-9(14-10)11(17)13-4-1-6-15-7-5-12-8-15/h5,7-9H,1-4,6H2,(H,13,17)(H,14,16)
InChIKeyNBRQFNACWKHFNO-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.33
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide

N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 653923) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID653923
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCCn2ccnc2)N1
InChIInChI=1S/C11H16N4O2/c16-10-3-2-9(14-10)11(17)13-4-1-6-15-7-5-12-8-15/h5,7-9H,1-4,6H2,(H,13,17)(H,14,16)
InChIKeyNBRQFNACWKHFNO-UHFFFAOYSA-N
XLogP-0.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Imidazol-1-ylbut-2-ynyl)-5-methylpyrrolidin-2-one
CID 15065554
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
(2S)-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]-2-(pentan-3-ylamino)pentanamide
CID 54585771
N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide
CID 3122124
Treamid
CID 86567101
(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
(2S)-2-(3-methylbutylamino)-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54582860
H-Pyr-Ala(imidazol-2-yl)(imidazol-2-yl)-Pro-NH2
CID 452611
(2R)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-imidazol-1-ylpropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]amino]-5-guanidino-pentanamide
CID 484275
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
N-Hexyl-2-(1H-imidazol-1-yl)acetamide
CID 45269421

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 653923) is N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCCCn2ccnc2)N1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NBRQFNACWKHFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10-3-2-9(14-10)11(17)13-4-1-6-15-7-5-12-8-15/h5,7-9H,1-4,6H2,(H,13,17)(H,14,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 653923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).