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

C20H22ClN3 — CID 24815882

IUPAC2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
SMILESCn1c(CN2CCC(c3ccccc3Cl)CC2)nc2ccccc21
InChIInChI=1S/C20H22ClN3/c1-23-19-9-5-4-8-18(19)22-20(23)14-24-12-10-15(11-13-24)16-6-2-3-7-17(16)21/h2-9,15H,10-14H2,1H3
InChIKeyJSPOHQDSHNOLIS-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.61
Rot. Bonds3

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

2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole (PubChem CID 24815882) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
PubChem CID24815882
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
SMILESCn1c(CN2CCC(c3ccccc3Cl)CC2)nc2ccccc21
InChIInChI=1S/C20H22ClN3/c1-23-19-9-5-4-8-18(19)22-20(23)14-24-12-10-15(11-13-24)16-6-2-3-7-17(16)21/h2-9,15H,10-14H2,1H3
InChIKeyJSPOHQDSHNOLIS-UHFFFAOYSA-N
XLogP4.61
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole (CID 24815882) is 2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole is Cn1c(CN2CCC(c3ccccc3Cl)CC2)nc2ccccc21.
What is the InChIKey of 2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The InChIKey is JSPOHQDSHNOLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3/c1-23-19-9-5-4-8-18(19)22-20(23)14-24-12-10-15(11-13-24)16-6-2-3-7-17(16)21/h2-9,15H,10-14H2,1H3.
What are the key properties of 2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole has a molecular weight of 339.87 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole is sourced from PubChem (CID 24815882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).