6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole

C13H17N3O — CID 170441623

IUPAC6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
SMILESCOc1ccc2nc(C3CCCN3C)[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-16-7-3-4-12(16)13-14-10-6-5-9(17-2)8-11(10)15-13/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyZRAZIRQGBPWNOW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.34
Rot. Bonds2

About 6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole

6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole (PubChem CID 170441623) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
PubChem CID170441623
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
SMILESCOc1ccc2nc(C3CCCN3C)[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-16-7-3-4-12(16)13-14-10-6-5-9(17-2)8-11(10)15-13/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyZRAZIRQGBPWNOW-UHFFFAOYSA-N
XLogP2.34
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 175069852
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
[(2S)-2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 118127697
2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole
CID 75131970
6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
CID 75131980
[2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-5-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 118127361
9-(7-methoxyquinolin-2-yl)-9-[2-[9-(7-methoxyquinolin-2-yl)-2,8,15-triazatetracyclo[8.3.1.13,13.04,8]pentadeca-1(13),3(15),10(14),11-tetraen-9-yl]ethynyl]-2,8,15-triazatetracyclo[8.3.1.13,13.04,8]pentadeca-1(13),3(15),10(14),11-tetraene
CID 118249706
6-methyl-2-(1-methylpyrrolidin-2-yl)-3H-imidazo[4,5-c]pyridine
CID 167170087
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
CID 65018013
[2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methyl-2-(3-methylphenyl)phenyl]methanone
CID 118128109

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole (CID 170441623) is 6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole is COc1ccc2nc(C3CCCN3C)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole?
The InChIKey is ZRAZIRQGBPWNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-7-3-4-12(16)13-14-10-6-5-9(17-2)8-11(10)15-13/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole?
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole has a molecular weight of 231.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole is sourced from PubChem (CID 170441623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).