2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone

C16H14N2O2 — CID 43612594

IUPAC2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H14N2O2/c1-20-13-6-4-5-12(9-13)16(19)10-18-11-17-14-7-2-3-8-15(14)18/h2-9,11H,10H2,1H3
InChIKeyORCOJUWYWLCLIJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone

2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone (PubChem CID 43612594) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone
PubChem CID43612594
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H14N2O2/c1-20-13-6-4-5-12(9-13)16(19)10-18-11-17-14-7-2-3-8-15(14)18/h2-9,11H,10H2,1H3
InChIKeyORCOJUWYWLCLIJ-UHFFFAOYSA-N
XLogP2.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone (CID 43612594) is 2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)Cn2cnc3ccccc32)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone?
The InChIKey is ORCOJUWYWLCLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-13-6-4-5-12(9-13)16(19)10-18-11-17-14-7-2-3-8-15(14)18/h2-9,11H,10H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone?
2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 43612594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).