2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride

C20H23ClFN3S — CID 141037025

IUPAC2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride
SMILESCl.Fc1ccc(CCN2CCC(Sc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H22FN3S.ClH/c21-16-7-5-15(6-8-16)9-12-24-13-10-17(11-14-24)25-20-22-18-3-1-2-4-19(18)23-20;/h1-8,17H,9-14H2,(H,22,23);1H
InChIKeyZAPIAFGFYRUTNP-UHFFFAOYSA-N
MW391.94 g/mol
LogP4.92
Rot. Bonds5

About 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride

2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride (PubChem CID 141037025) has the molecular formula C20H23ClFN3S and a molecular weight of 391.94 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride
PubChem CID141037025
Molecular FormulaC20H23ClFN3S
Molecular Weight391.94 g/mol
Exact Mass391.13
IUPAC Name2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride
SMILESCl.Fc1ccc(CCN2CCC(Sc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H22FN3S.ClH/c21-16-7-5-15(6-8-16)9-12-24-13-10-17(11-14-24)25-20-22-18-3-1-2-4-19(18)23-20;/h1-8,17H,9-14H2,(H,22,23);1H
InChIKeyZAPIAFGFYRUTNP-UHFFFAOYSA-N
XLogP4.92
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride
CID 141037033
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906630
1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride
CID 141037036
2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride
CID 126475917
2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine
CID 14518042
2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol
CID 14013334
4-[(4-fluorophenyl)methyl]-1-(2-naphthalen-2-ylethyl)piperidine
CID 14280679
2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride
CID 10384617
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
2-[[4-(1-benzylpiperidin-4-yl)sulfanyl-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;hydrate;hydrochloride
CID 19963105
4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 141037067

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride (CID 141037025) is 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride is Cl.Fc1ccc(CCN2CCC(Sc3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride?
The InChIKey is ZAPIAFGFYRUTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3S.ClH/c21-16-7-5-15(6-8-16)9-12-24-13-10-17(11-14-24)25-20-22-18-3-1-2-4-19(18)23-20;/h1-8,17H,9-14H2,(H,22,23);1H.
What are the key properties of 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride?
2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 141037025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).