2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole

C21H25N3O — CID 11325148

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C21H25N3O/c1-25-18-7-8-19-20(14-18)23-21(22-19)15-24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3,(H,22,23)
InChIKeyJWCAWRXEAVFQSM-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.03
Rot. Bonds5

About 2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole

2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole (PubChem CID 11325148) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
PubChem CID11325148
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C21H25N3O/c1-25-18-7-8-19-20(14-18)23-21(22-19)15-24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3,(H,22,23)
InChIKeyJWCAWRXEAVFQSM-UHFFFAOYSA-N
XLogP4.03
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole (CID 11325148) is 2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole is COc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole?
The InChIKey is JWCAWRXEAVFQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-25-18-7-8-19-20(14-18)23-21(22-19)15-24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3,(H,22,23).
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole?
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole has a molecular weight of 335.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 11325148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).