2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone

C12H13N3O — CID 67816214

IUPAC2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C(C1N=c2ccccc2=N1)[C@@H]1CCCN1
InChIInChI=1S/C12H13N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-2,4-5,10,12-13H,3,6-7H2/t10-/m0/s1
InChIKeyULDBKTHMULCCDF-JTQLQIEISA-N
MW215.26 g/mol
LogP-0.41
Rot. Bonds2

About 2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone

2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 67816214) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID67816214
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C(C1N=c2ccccc2=N1)[C@@H]1CCCN1
InChIInChI=1S/C12H13N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-2,4-5,10,12-13H,3,6-7H2/t10-/m0/s1
InChIKeyULDBKTHMULCCDF-JTQLQIEISA-N
XLogP-0.41
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
[(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone
CID 175844218
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
CID 59628577
(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
CID 59628597
bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
CID 70124841
(2-fluorophenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 89281976
phenyl(piperidin-2-yl)methanone
CID 19772085
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
N'-benzylpyrrolidine-2-carbohydrazide
CID 130007921

Frequently Asked Questions

What is the IUPAC name of 2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of 2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone (CID 67816214) is 2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for 2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for 2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone is O=C(C1N=c2ccccc2=N1)[C@@H]1CCCN1.
What is the InChIKey of 2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is ULDBKTHMULCCDF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-2,4-5,10,12-13H,3,6-7H2/t10-/m0/s1.
What are the key properties of 2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone?
2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 215.26 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 67816214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).