N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide

C14H14N4O2 — CID 110471752

IUPACN-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2-n2ccnc2)N1
InChIInChI=1S/C14H14N4O2/c19-13-6-5-11(16-13)14(20)17-10-3-1-2-4-12(10)18-8-7-15-9-18/h1-4,7-9,11H,5-6H2,(H,16,19)(H,17,20)
InChIKeyAENRMIGGSUTEHS-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.09
Rot. Bonds3

About N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide

N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110471752) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110471752
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2-n2ccnc2)N1
InChIInChI=1S/C14H14N4O2/c19-13-6-5-11(16-13)14(20)17-10-3-1-2-4-12(10)18-8-7-15-9-18/h1-4,7-9,11H,5-6H2,(H,16,19)(H,17,20)
InChIKeyAENRMIGGSUTEHS-UHFFFAOYSA-N
XLogP1.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide
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N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
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N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide
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(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
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(2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120797789
N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 100904519
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
N-(2-imidazol-1-ylphenyl)-2-piperidin-3-ylacetamide
CID 62677033
N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110471752) is N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2ccccc2-n2ccnc2)N1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AENRMIGGSUTEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-13-6-5-11(16-13)14(20)17-10-3-1-2-4-12(10)18-8-7-15-9-18/h1-4,7-9,11H,5-6H2,(H,16,19)(H,17,20).
What are the key properties of N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110471752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).