1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol

C25H24FN3O — CID 44526297

IUPAC1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)C1
InChIInChI=1S/C25H24FN3O/c26-21-11-12-23-24(14-21)28-25(27-23)20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-29-13-1-2-22(30)16-29/h3-12,14,22,30H,1-2,13,15-16H2,(H,27,28)
InChIKeyOFGCHWWYPRHOEG-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.99
Rot. Bonds4

About 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol

1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol (PubChem CID 44526297) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
PubChem CID44526297
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)C1
InChIInChI=1S/C25H24FN3O/c26-21-11-12-23-24(14-21)28-25(27-23)20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-29-13-1-2-22(30)16-29/h3-12,14,22,30H,1-2,13,15-16H2,(H,27,28)
InChIKeyOFGCHWWYPRHOEG-UHFFFAOYSA-N
XLogP4.99
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol (CID 44526297) is 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol is OC1CCCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)C1.
What is the InChIKey of 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol?
The InChIKey is OFGCHWWYPRHOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c26-21-11-12-23-24(14-21)28-25(27-23)20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-29-13-1-2-22(30)16-29/h3-12,14,22,30H,1-2,13,15-16H2,(H,27,28).
What are the key properties of 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol?
1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol has a molecular weight of 401.49 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 44526297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).