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

C20H21ClFN3 — CID 23725156

IUPAC2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
SMILESCn1c(CN2CCC(c3ccc(Cl)cc3F)CC2)nc2ccccc21
InChIInChI=1S/C20H21ClFN3/c1-24-19-5-3-2-4-18(19)23-20(24)13-25-10-8-14(9-11-25)16-7-6-15(21)12-17(16)22/h2-7,12,14H,8-11,13H2,1H3
InChIKeyZOSDMAHANBIICB-UHFFFAOYSA-N
MW357.86 g/mol
LogP4.75
Rot. Bonds3

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

2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole (PubChem CID 23725156) has the molecular formula C20H21ClFN3 and a molecular weight of 357.86 g/mol. Its IUPAC name is 2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
PubChem CID23725156
Molecular FormulaC20H21ClFN3
Molecular Weight357.86 g/mol
Exact Mass357.14
IUPAC Name2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
SMILESCn1c(CN2CCC(c3ccc(Cl)cc3F)CC2)nc2ccccc21
InChIInChI=1S/C20H21ClFN3/c1-24-19-5-3-2-4-18(19)23-20(24)13-25-10-8-14(9-11-25)16-7-6-15(21)12-17(16)22/h2-7,12,14H,8-11,13H2,1H3
InChIKeyZOSDMAHANBIICB-UHFFFAOYSA-N
XLogP4.75
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole (CID 23725156) is 2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole is Cn1c(CN2CCC(c3ccc(Cl)cc3F)CC2)nc2ccccc21.
What is the InChIKey of 2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
The InChIKey is ZOSDMAHANBIICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3/c1-24-19-5-3-2-4-18(19)23-20(24)13-25-10-8-14(9-11-25)16-7-6-15(21)12-17(16)22/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole?
2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole has a molecular weight of 357.86 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloro-2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole is sourced from PubChem (CID 23725156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).