6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole

C18H26N4O — CID 75131980

IUPAC6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
SMILESCOc1ccc2nc(C3CCN(C4CCN(C)CC4)C3)[nH]c2c1
InChIInChI=1S/C18H26N4O/c1-21-8-6-14(7-9-21)22-10-5-13(12-22)18-19-16-4-3-15(23-2)11-17(16)20-18/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,19,20)
InChIKeyMBPVZIOORSFWIN-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.45
Rot. Bonds3

About 6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole

6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole (PubChem CID 75131980) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
PubChem CID75131980
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
SMILESCOc1ccc2nc(C3CCN(C4CCN(C)CC4)C3)[nH]c2c1
InChIInChI=1S/C18H26N4O/c1-21-8-6-14(7-9-21)22-10-5-13(12-22)18-19-16-4-3-15(23-2)11-17(16)20-18/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,19,20)
InChIKeyMBPVZIOORSFWIN-UHFFFAOYSA-N
XLogP2.45
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole
CID 75131970
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
CID 65018013
2-[(3R,4S)-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-(oxan-4-yl)piperidin-4-yl]acetic acid
CID 125417766
2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 175069852
2-[(3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-6-methoxy-1H-benzimidazole
CID 170441730
4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine
CID 102628130
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 2952741
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
CID 82335981

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole (CID 75131980) is 6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole is COc1ccc2nc(C3CCN(C4CCN(C)CC4)C3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole?
The InChIKey is MBPVZIOORSFWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21-8-6-14(7-9-21)22-10-5-13(12-22)18-19-16-4-3-15(23-2)11-17(16)20-18/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,19,20).
What are the key properties of 6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole?
6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole has a molecular weight of 314.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 75131980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).