2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol

C21H24FN3O — CID 57398830

IUPAC2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FN3O/c22-18-9-7-16(8-10-18)14-25-20-6-2-1-5-19(20)23-21(25)17-4-3-11-24(15-17)12-13-26/h1-2,5-10,17,26H,3-4,11-15H2
InChIKeyDFNGZIPWXHTTPA-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.40
Rot. Bonds5

About 2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol

2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol (PubChem CID 57398830) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol
PubChem CID57398830
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FN3O/c22-18-9-7-16(8-10-18)14-25-20-6-2-1-5-19(20)23-21(25)17-4-3-11-24(15-17)12-13-26/h1-2,5-10,17,26H,3-4,11-15H2
InChIKeyDFNGZIPWXHTTPA-UHFFFAOYSA-N
XLogP3.40
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol (CID 57398830) is 2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol is OCCN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol?
The InChIKey is DFNGZIPWXHTTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c22-18-9-7-16(8-10-18)14-25-20-6-2-1-5-19(20)23-21(25)17-4-3-11-24(15-17)12-13-26/h1-2,5-10,17,26H,3-4,11-15H2.
What are the key properties of 2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol?
2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol has a molecular weight of 353.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 57398830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).