2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol

C20H22FN3O — CID 10042818

IUPAC2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(CN3CCC(Cc4cccc(F)c4)CC3)[nH]c2c1
InChIInChI=1S/C20H22FN3O/c21-16-3-1-2-15(11-16)10-14-6-8-24(9-7-14)13-20-22-18-5-4-17(25)12-19(18)23-20/h1-5,11-12,14,25H,6-10,13H2,(H,22,23)
InChIKeyMCPJEMSOWLNCCI-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.86
Rot. Bonds4

About 2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol

2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol (PubChem CID 10042818) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
PubChem CID10042818
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(CN3CCC(Cc4cccc(F)c4)CC3)[nH]c2c1
InChIInChI=1S/C20H22FN3O/c21-16-3-1-2-15(11-16)10-14-6-8-24(9-7-14)13-20-22-18-5-4-17(25)12-19(18)23-20/h1-5,11-12,14,25H,6-10,13H2,(H,22,23)
InChIKeyMCPJEMSOWLNCCI-UHFFFAOYSA-N
XLogP3.86
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol?
The IUPAC name of 2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol (CID 10042818) is 2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol is Oc1ccc2nc(CN3CCC(Cc4cccc(F)c4)CC3)[nH]c2c1.
What is the InChIKey of 2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol?
The InChIKey is MCPJEMSOWLNCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-16-3-1-2-15(11-16)10-14-6-8-24(9-7-14)13-20-22-18-5-4-17(25)12-19(18)23-20/h1-5,11-12,14,25H,6-10,13H2,(H,22,23).
What are the key properties of 2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol?
2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol has a molecular weight of 339.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol is sourced from PubChem (CID 10042818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).