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

C20H23N3 — CID 667674

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole
SMILESc1ccc(CC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H23N3/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
InChIKeyWHMKZOBPYPISHR-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.02
Rot. Bonds4

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

2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole (PubChem CID 667674) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole
PubChem CID667674
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole
SMILESc1ccc(CC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H23N3/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
InChIKeyWHMKZOBPYPISHR-UHFFFAOYSA-N
XLogP4.02
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole (CID 667674) is 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole is c1ccc(CC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole?
The InChIKey is WHMKZOBPYPISHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22).
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole?
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole has a molecular weight of 305.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 667674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).