1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone

C13H15N3O — CID 43841790

IUPAC1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C13H15N3O/c1-9(17)16-8-4-7-12(16)13-14-10-5-2-3-6-11(10)15-13/h2-3,5-6,12H,4,7-8H2,1H3,(H,14,15)
InChIKeyGZSLMVKWOQNHHM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.25
Rot. Bonds1

About 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone

1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 43841790) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID43841790
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C13H15N3O/c1-9(17)16-8-4-7-12(16)13-14-10-5-2-3-6-11(10)15-13/h2-3,5-6,12H,4,7-8H2,1H3,(H,14,15)
InChIKeyGZSLMVKWOQNHHM-UHFFFAOYSA-N
XLogP2.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
N-[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94166760
N-[4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 110219149
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 51270033
2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 175073604
(Z)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(3-fluorophenyl)but-2-en-1-one
CID 86933498
N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 51269960
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 92512790

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone (CID 43841790) is 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is GZSLMVKWOQNHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(17)16-8-4-7-12(16)13-14-10-5-2-3-6-11(10)15-13/h2-3,5-6,12H,4,7-8H2,1H3,(H,14,15).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 229.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 43841790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).