1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone

C14H12N2O2 — CID 659045

IUPAC1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ccccc3n2C)o1
InChIInChI=1S/C14H12N2O2/c1-9(17)12-7-8-13(18-12)14-15-10-5-3-4-6-11(10)16(14)2/h3-8H,1-2H3
InChIKeyKROALLFMYQSZJI-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.04
Rot. Bonds2

About 1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone

1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone (PubChem CID 659045) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone
PubChem CID659045
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ccccc3n2C)o1
InChIInChI=1S/C14H12N2O2/c1-9(17)12-7-8-13(18-12)14-15-10-5-3-4-6-11(10)16(14)2/h3-8H,1-2H3
InChIKeyKROALLFMYQSZJI-UHFFFAOYSA-N
XLogP3.04
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone (CID 659045) is 1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone is CC(=O)c1ccc(-c2nc3ccccc3n2C)o1.
What is the InChIKey of 1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone?
The InChIKey is KROALLFMYQSZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9(17)12-7-8-13(18-12)14-15-10-5-3-4-6-11(10)16(14)2/h3-8H,1-2H3.
What are the key properties of 1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone?
1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone has a molecular weight of 240.26 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]ethanone is sourced from PubChem (CID 659045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).