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

C23H25ClFN3O2 — CID 13253887

IUPAC6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2n1C1CCN(CC2CC(c3ccc(F)cc3)CO2)CC1
InChIInChI=1S/C23H25ClFN3O2/c24-17-3-6-22-21(12-17)26-23(29)28(22)19-7-9-27(10-8-19)13-20-11-16(14-30-20)15-1-4-18(25)5-2-15/h1-6,12,16,19-20H,7-11,13-14H2,(H,26,29)
InChIKeyRIYNKTCIOQEPBZ-UHFFFAOYSA-N
MW429.92 g/mol
LogP4.33
Rot. Bonds4

About 6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 13253887) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is 6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID13253887
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2n1C1CCN(CC2CC(c3ccc(F)cc3)CO2)CC1
InChIInChI=1S/C23H25ClFN3O2/c24-17-3-6-22-21(12-17)26-23(29)28(22)19-7-9-27(10-8-19)13-20-11-16(14-30-20)15-1-4-18(25)5-2-15/h1-6,12,16,19-20H,7-11,13-14H2,(H,26,29)
InChIKeyRIYNKTCIOQEPBZ-UHFFFAOYSA-N
XLogP4.33
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 13253887) is 6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CC2CC(c3ccc(F)cc3)CO2)CC1.
What is the InChIKey of 6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is RIYNKTCIOQEPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c24-17-3-6-22-21(12-17)26-23(29)28(22)19-7-9-27(10-8-19)13-20-11-16(14-30-20)15-1-4-18(25)5-2-15/h1-6,12,16,19-20H,7-11,13-14H2,(H,26,29).
What are the key properties of 6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 429.92 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 13253887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).