1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone

C17H16N2O2 — CID 71563192

IUPAC1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1nc2ccccc2n1C
InChIInChI=1S/C17H16N2O2/c1-12(20)13-7-3-6-10-16(13)21-11-17-18-14-8-4-5-9-15(14)19(17)2/h3-10H,11H2,1-2H3
InChIKeyWLXCDFCGLOSESQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.35
Rot. Bonds4

About 1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone

1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone (PubChem CID 71563192) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone
PubChem CID71563192
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1nc2ccccc2n1C
InChIInChI=1S/C17H16N2O2/c1-12(20)13-7-3-6-10-16(13)21-11-17-18-14-8-4-5-9-15(14)19(17)2/h3-10H,11H2,1-2H3
InChIKeyWLXCDFCGLOSESQ-UHFFFAOYSA-N
XLogP3.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone (CID 71563192) is 1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone is CC(=O)c1ccccc1OCc1nc2ccccc2n1C.
What is the InChIKey of 1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone?
The InChIKey is WLXCDFCGLOSESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(20)13-7-3-6-10-16(13)21-11-17-18-14-8-4-5-9-15(14)19(17)2/h3-10H,11H2,1-2H3.
What are the key properties of 1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone?
1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone has a molecular weight of 280.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 71563192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).