2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole

C20H22ClN3 — CID 46225581

IUPAC2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
SMILESCn1c(CN2CCC(c3cccc(Cl)c3)CC2)nc2ccccc21
InChIInChI=1S/C20H22ClN3/c1-23-19-8-3-2-7-18(19)22-20(23)14-24-11-9-15(10-12-24)16-5-4-6-17(21)13-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyVMVIBHPQZUBRKV-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.61
Rot. Bonds3

About 2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole

2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole (PubChem CID 46225581) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
PubChem CID46225581
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
SMILESCn1c(CN2CCC(c3cccc(Cl)c3)CC2)nc2ccccc21
InChIInChI=1S/C20H22ClN3/c1-23-19-8-3-2-7-18(19)22-20(23)14-24-11-9-15(10-12-24)16-5-4-6-17(21)13-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyVMVIBHPQZUBRKV-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-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole (CID 46225581) is 2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole is Cn1c(CN2CCC(c3cccc(Cl)c3)CC2)nc2ccccc21.
What is the InChIKey of 2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The InChIKey is VMVIBHPQZUBRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3/c1-23-19-8-3-2-7-18(19)22-20(23)14-24-11-9-15(10-12-24)16-5-4-6-17(21)13-16/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
2-[[4-(3-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-(3-chlorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole is sourced from PubChem (CID 46225581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).