3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C23H26FN3O2 — CID 13151545

IUPAC3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC2CC(c3ccc(F)cc3)CO2)CC1
InChIInChI=1S/C23H26FN3O2/c24-18-7-5-16(6-8-18)17-13-20(29-15-17)14-26-11-9-19(10-12-26)27-22-4-2-1-3-21(22)25-23(27)28/h1-8,17,19-20H,9-15H2,(H,25,28)
InChIKeySIXXCWCDRJXVTF-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.68
Rot. Bonds4

About 3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 13151545) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID13151545
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC2CC(c3ccc(F)cc3)CO2)CC1
InChIInChI=1S/C23H26FN3O2/c24-18-7-5-16(6-8-18)17-13-20(29-15-17)14-26-11-9-19(10-12-26)27-22-4-2-1-3-21(22)25-23(27)28/h1-8,17,19-20H,9-15H2,(H,25,28)
InChIKeySIXXCWCDRJXVTF-UHFFFAOYSA-N
XLogP3.68
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 13151545) is 3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(CC2CC(c3ccc(F)cc3)CO2)CC1.
What is the InChIKey of 3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is SIXXCWCDRJXVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-18-7-5-16(6-8-18)17-13-20(29-15-17)14-26-11-9-19(10-12-26)27-22-4-2-1-3-21(22)25-23(27)28/h1-8,17,19-20H,9-15H2,(H,25,28).
What are the key properties of 3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 395.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 13151545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).