1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone

C20H19F2N3O — CID 46090271

IUPAC1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1F)N1CCC(n2cnc3ccccc32)CC1
InChIInChI=1S/C20H19F2N3O/c21-16-4-3-5-17(22)15(16)12-20(26)24-10-8-14(9-11-24)25-13-23-18-6-1-2-7-19(18)25/h1-7,13-14H,8-12H2
InChIKeyDZZSPNXCKMXBCE-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.72
Rot. Bonds3

About 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone

1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone (PubChem CID 46090271) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
PubChem CID46090271
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1F)N1CCC(n2cnc3ccccc32)CC1
InChIInChI=1S/C20H19F2N3O/c21-16-4-3-5-17(22)15(16)12-20(26)24-10-8-14(9-11-24)25-13-23-18-6-1-2-7-19(18)25/h1-7,13-14H,8-12H2
InChIKeyDZZSPNXCKMXBCE-UHFFFAOYSA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?
The IUPAC name of 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone (CID 46090271) is 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone is O=C(Cc1c(F)cccc1F)N1CCC(n2cnc3ccccc32)CC1.
What is the InChIKey of 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?
The InChIKey is DZZSPNXCKMXBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c21-16-4-3-5-17(22)15(16)12-20(26)24-10-8-14(9-11-24)25-13-23-18-6-1-2-7-19(18)25/h1-7,13-14H,8-12H2.
What are the key properties of 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?
1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone has a molecular weight of 355.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 46090271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).