2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone

C18H19N3O2 — CID 648729

IUPAC2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1c(-c2ccco2)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C18H19N3O2/c22-17(20-10-4-1-5-11-20)13-21-15-8-3-2-7-14(15)19-18(21)16-9-6-12-23-16/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyUDOBLYMODKCMTO-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.31
Rot. Bonds3

About 2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone

2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 648729) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID648729
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1c(-c2ccco2)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C18H19N3O2/c22-17(20-10-4-1-5-11-20)13-21-15-8-3-2-7-14(15)19-18(21)16-9-6-12-23-16/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyUDOBLYMODKCMTO-UHFFFAOYSA-N
XLogP3.31
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone (CID 648729) is 2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone is O=C(Cn1c(-c2ccco2)nc2ccccc21)N1CCCCC1.
What is the InChIKey of 2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is UDOBLYMODKCMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17(20-10-4-1-5-11-20)13-21-15-8-3-2-7-14(15)19-18(21)16-9-6-12-23-16/h2-3,6-9,12H,1,4-5,10-11,13H2.
What are the key properties of 2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 309.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 648729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).