N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide

C14H16N4O2 — CID 60927810

IUPACN-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cc[nH]c2=O)cc1)C1CCCN1
InChIInChI=1S/C14H16N4O2/c19-13(12-2-1-7-15-12)17-10-3-5-11(6-4-10)18-9-8-16-14(18)20/h3-6,8-9,12,15H,1-2,7H2,(H,16,20)(H,17,19)
InChIKeyZDURAWMZAFTTRR-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.86
Rot. Bonds3

About N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide

N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 60927810) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID60927810
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cc[nH]c2=O)cc1)C1CCCN1
InChIInChI=1S/C14H16N4O2/c19-13(12-2-1-7-15-12)17-10-3-5-11(6-4-10)18-9-8-16-14(18)20/h3-6,8-9,12,15H,1-2,7H2,(H,16,20)(H,17,19)
InChIKeyZDURAWMZAFTTRR-UHFFFAOYSA-N
XLogP0.86
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701
(2R)-N-[4-(azepan-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103813730
N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 60710547
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209501
N-(4-pyrrolidin-1-ylphenyl)azepane-2-carboxamide
CID 64562834
N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide
CID 115159173

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide (CID 60927810) is N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-n2cc[nH]c2=O)cc1)C1CCCN1.
What is the InChIKey of N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is ZDURAWMZAFTTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13(12-2-1-7-15-12)17-10-3-5-11(6-4-10)18-9-8-16-14(18)20/h3-6,8-9,12,15H,1-2,7H2,(H,16,20)(H,17,19).
What are the key properties of N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60927810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).