N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide

C13H14N4O2 — CID 108521097

IUPACN-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)C(=O)N1CCCC1
InChIInChI=1S/C13H14N4O2/c18-12(13(19)17-5-1-2-6-17)16-9-3-4-10-11(7-9)15-8-14-10/h3-4,7-8H,1-2,5-6H2,(H,14,15)(H,16,18)
InChIKeyFODRHUDIDPJWEI-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.12
Rot. Bonds1

About N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide

N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 108521097) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID108521097
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)C(=O)N1CCCC1
InChIInChI=1S/C13H14N4O2/c18-12(13(19)17-5-1-2-6-17)16-9-3-4-10-11(7-9)15-8-14-10/h3-4,7-8H,1-2,5-6H2,(H,14,15)(H,16,18)
InChIKeyFODRHUDIDPJWEI-UHFFFAOYSA-N
XLogP1.12
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
CID 108521221
2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
CID 108504765
N-(3H-benzimidazol-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108525602
N-(3H-benzimidazol-5-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108529250
N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108529307
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
N-(3H-benzimidazol-5-yl)prop-2-enamide
CID 4318258
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea
CID 108913655
(E)-N-(3H-benzimidazol-5-yl)-3-hydroxy-2-nitrosobut-2-enamide
CID 166844884

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide (CID 108521097) is N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(Nc1ccc2nc[nH]c2c1)C(=O)N1CCCC1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is FODRHUDIDPJWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-12(13(19)17-5-1-2-6-17)16-9-3-4-10-11(7-9)15-8-14-10/h3-4,7-8H,1-2,5-6H2,(H,14,15)(H,16,18).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide?
N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 258.28 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 108521097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).