2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol

C21H24FN3OS — CID 14013334

IUPAC2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol
SMILESOCCN1CCC(Sc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3OS/c22-17-7-5-16(6-8-17)15-25-20-4-2-1-3-19(20)23-21(25)27-18-9-11-24(12-10-18)13-14-26/h1-8,18,26H,9-15H2
InChIKeyOXHZJBQHPBPHLE-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.77
Rot. Bonds6

About 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol

2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol (PubChem CID 14013334) has the molecular formula C21H24FN3OS and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol
PubChem CID14013334
Molecular FormulaC21H24FN3OS
Molecular Weight385.51 g/mol
Exact Mass385.16
IUPAC Name2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol
SMILESOCCN1CCC(Sc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3OS/c22-17-7-5-16(6-8-17)15-25-20-4-2-1-3-19(20)23-21(25)27-18-9-11-24(12-10-18)13-14-26/h1-8,18,26H,9-15H2
InChIKeyOXHZJBQHPBPHLE-UHFFFAOYSA-N
XLogP3.77
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine
CID 14518042
2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol
CID 720880
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
CID 54195084
N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine
CID 12891645
N-[1-(4-aminobutyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine;trihydrochloride
CID 156621011
propan-2-yl 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetate
CID 1470410
[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol
CID 97169554
1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
N-[1-(3-anilinopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891570
1-[(4-fluorophenyl)methyl]-2-[(3S)-1-methylpiperidin-3-yl]benzimidazole
CID 46888882

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol (CID 14013334) is 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol is OCCN1CCC(Sc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol?
The InChIKey is OXHZJBQHPBPHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3OS/c22-17-7-5-16(6-8-17)15-25-20-4-2-1-3-19(20)23-21(25)27-18-9-11-24(12-10-18)13-14-26/h1-8,18,26H,9-15H2.
What are the key properties of 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol?
2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol has a molecular weight of 385.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol is sourced from PubChem (CID 14013334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).