3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one

C15H14N2O2 — CID 17000250

IUPAC3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one
SMILESCC(=O)C(C)n1c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C15H14N2O2/c1-10(11(2)18)17-13-7-4-3-6-12(13)16-15(17)14-8-5-9-19-14/h3-10H,1-2H3
InChIKeySISVBUBWWLIVLO-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.45
Rot. Bonds3

About 3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one

3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one (PubChem CID 17000250) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one.

Molecular Properties

Compound Name3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one
PubChem CID17000250
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one
SMILESCC(=O)C(C)n1c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C15H14N2O2/c1-10(11(2)18)17-13-7-4-3-6-12(13)16-15(17)14-8-5-9-19-14/h3-10H,1-2H3
InChIKeySISVBUBWWLIVLO-UHFFFAOYSA-N
XLogP3.45
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one?
The IUPAC name of 3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one (CID 17000250) is 3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one.
What is the SMILES notation for 3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one?
The canonical SMILES for 3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one is CC(=O)C(C)n1c(-c2ccco2)nc2ccccc21.
What is the InChIKey of 3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one?
The InChIKey is SISVBUBWWLIVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10(11(2)18)17-13-7-4-3-6-12(13)16-15(17)14-8-5-9-19-14/h3-10H,1-2H3.
What are the key properties of 3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one?
3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one has a molecular weight of 254.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one is sourced from PubChem (CID 17000250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).