2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole

C21H25N3O — CID 51356569

IUPAC2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
SMILESCOc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C21H25N3O/c1-23-19-9-5-4-8-18(19)22-21(23)15-24-13-11-16(12-14-24)17-7-3-6-10-20(17)25-2/h3-10,16H,11-15H2,1-2H3
InChIKeyMJDLYRJRCRLNGE-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.96
Rot. Bonds4

About 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole

2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole (PubChem CID 51356569) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
PubChem CID51356569
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
SMILESCOc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C21H25N3O/c1-23-19-9-5-4-8-18(19)22-21(23)15-24-13-11-16(12-14-24)17-7-3-6-10-20(17)25-2/h3-10,16H,11-15H2,1-2H3
InChIKeyMJDLYRJRCRLNGE-UHFFFAOYSA-N
XLogP3.96
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole (CID 51356569) is 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole is COc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The InChIKey is MJDLYRJRCRLNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23-19-9-5-4-8-18(19)22-21(23)15-24-13-11-16(12-14-24)17-7-3-6-10-20(17)25-2/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole has a molecular weight of 335.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole is sourced from PubChem (CID 51356569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).