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

C18H21N3O — CID 94485230

IUPAC1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
SMILESO=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H21N3O/c22-17(12-13-6-1-2-7-13)21-11-5-10-16(21)18-19-14-8-3-4-9-15(14)20-18/h1,3-4,6,8-9,13,16H,2,5,7,10-12H2,(H,19,20)/t13-,16-/m0/s1
InChIKeyLBRUODHYZOIDPT-BBRMVZONSA-N
MW295.39 g/mol
LogP3.58
Rot. Bonds3

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

1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone (PubChem CID 94485230) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
PubChem CID94485230
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
SMILESO=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H21N3O/c22-17(12-13-6-1-2-7-13)21-11-5-10-16(21)18-19-14-8-3-4-9-15(14)20-18/h1,3-4,6,8-9,13,16H,2,5,7,10-12H2,(H,19,20)/t13-,16-/m0/s1
InChIKeyLBRUODHYZOIDPT-BBRMVZONSA-N
XLogP3.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 94485231
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 41411146
(3S)-3-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 97496450
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 92512790
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 110225725
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 92576442
2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 47028445
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 51269977
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 42473100

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone (CID 94485230) is 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone is O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
The InChIKey is LBRUODHYZOIDPT-BBRMVZONSA-N. The full InChI is InChI=1S/C18H21N3O/c22-17(12-13-6-1-2-7-13)21-11-5-10-16(21)18-19-14-8-3-4-9-15(14)20-18/h1,3-4,6,8-9,13,16H,2,5,7,10-12H2,(H,19,20)/t13-,16-/m0/s1.
What are the key properties of 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone has a molecular weight of 295.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone is sourced from PubChem (CID 94485230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).