1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole

C20H23N3 — CID 24815434

IUPAC1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole
SMILESCn1c(CN2CCC(c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C20H23N3/c1-22-19-10-6-5-9-18(19)21-20(22)15-23-13-11-17(12-14-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKeyJSJOIAGWCLDVRP-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.95
Rot. Bonds3

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

1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole (PubChem CID 24815434) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole
PubChem CID24815434
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole
SMILESCn1c(CN2CCC(c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C20H23N3/c1-22-19-10-6-5-9-18(19)21-20(22)15-23-13-11-17(12-14-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKeyJSJOIAGWCLDVRP-UHFFFAOYSA-N
XLogP3.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole (CID 24815434) is 1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole is Cn1c(CN2CCC(c3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole?
The InChIKey is JSJOIAGWCLDVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-22-19-10-6-5-9-18(19)21-20(22)15-23-13-11-17(12-14-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3.
What are the key properties of 1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole?
1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole has a molecular weight of 305.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole is sourced from PubChem (CID 24815434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).