6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole

C12H15N3O — CID 129371343

IUPAC6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
SMILESCOc1ccc2nc([C@@H]3CCNC3)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-16-9-2-3-10-11(6-9)15-12(14-10)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyFRQIDVPLXRHXHK-MRVPVSSYSA-N
MW217.27 g/mol
LogP1.65
Rot. Bonds2

About 6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole

6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole (PubChem CID 129371343) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
PubChem CID129371343
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
SMILESCOc1ccc2nc([C@@H]3CCNC3)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-16-9-2-3-10-11(6-9)15-12(14-10)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyFRQIDVPLXRHXHK-MRVPVSSYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
CID 82331880
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688
6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole
CID 62328459
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816442
2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole
CID 75131970
2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
CID 65018013
2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide
CID 84816446
6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole
CID 155211431
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile
CID 84816437
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole (CID 129371343) is 6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole is COc1ccc2nc([C@@H]3CCNC3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole?
The InChIKey is FRQIDVPLXRHXHK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-9-2-3-10-11(6-9)15-12(14-10)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of 6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole?
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole has a molecular weight of 217.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 129371343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).