6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C24H22F2N4O — CID 19863642

IUPAC6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1C1CCN(Cc2cncc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C24H22F2N4O/c25-19-3-1-17(2-4-19)18-11-16(13-27-14-18)15-29-9-7-21(8-10-29)30-23-6-5-20(26)12-22(23)28-24(30)31/h1-6,11-14,21H,7-10,15H2,(H,28,31)
InChIKeyYKHWNCWAWBFADD-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.51
Rot. Bonds4

About 6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 19863642) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is 6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID19863642
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1C1CCN(Cc2cncc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C24H22F2N4O/c25-19-3-1-17(2-4-19)18-11-16(13-27-14-18)15-29-9-7-21(8-10-29)30-23-6-5-20(26)12-22(23)28-24(30)31/h1-6,11-14,21H,7-10,15H2,(H,28,31)
InChIKeyYKHWNCWAWBFADD-UHFFFAOYSA-N
XLogP4.51
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 19863642) is 6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2cc(F)ccc2n1C1CCN(Cc2cncc(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of 6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is YKHWNCWAWBFADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c25-19-3-1-17(2-4-19)18-11-16(13-27-14-18)15-29-9-7-21(8-10-29)30-23-6-5-20(26)12-22(23)28-24(30)31/h1-6,11-14,21H,7-10,15H2,(H,28,31).
What are the key properties of 6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 420.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 19863642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).