6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole

C12H15N3O — CID 83857632

IUPAC6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
SMILESCOc1ccc2nc([C@@H]3CCCN3)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-16-8-4-5-9-11(7-8)15-12(14-9)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyALIYWMGXNBFLNW-JTQLQIEISA-N
MW217.27 g/mol
LogP2.00
Rot. Bonds2

About 6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole

6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 83857632) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID83857632
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
SMILESCOc1ccc2nc([C@@H]3CCCN3)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-16-8-4-5-9-11(7-8)15-12(14-9)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyALIYWMGXNBFLNW-JTQLQIEISA-N
XLogP2.00
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole
CID 86637332
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
CID 59236993
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
6-[2-(4-methylphenyl)ethynyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 144601474
6-[1-methyl-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 68575123
2-[(3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-6-methoxy-1H-benzimidazole
CID 170441730
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 67062568
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
6-[(2S,5R)-1-[3,5-difluoro-4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 123148714
2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole
CID 129171884
2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
CID 65018013
6-chloro-2-pyrrolidin-2-yl-1H-benzimidazole;sulfuric acid;hydrate
CID 76851545

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole (CID 83857632) is 6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole is COc1ccc2nc([C@@H]3CCCN3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is ALIYWMGXNBFLNW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-8-4-5-9-11(7-8)15-12(14-9)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 217.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 83857632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).