2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone

C15H14N2O3 — CID 3076954

IUPAC2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2oc(C)c(C(=O)Cn3ccnc3)c2c1
InChIInChI=1S/C15H14N2O3/c1-10-15(13(18)8-17-6-5-16-9-17)12-7-11(19-2)3-4-14(12)20-10/h3-7,9H,8H2,1-2H3
InChIKeyORXWSLDGQVRACV-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.83
Rot. Bonds4

About 2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone

2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone (PubChem CID 3076954) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone
PubChem CID3076954
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2oc(C)c(C(=O)Cn3ccnc3)c2c1
InChIInChI=1S/C15H14N2O3/c1-10-15(13(18)8-17-6-5-16-9-17)12-7-11(19-2)3-4-14(12)20-10/h3-7,9H,8H2,1-2H3
InChIKeyORXWSLDGQVRACV-UHFFFAOYSA-N
XLogP2.83
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone (CID 3076954) is 2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone is COc1ccc2oc(C)c(C(=O)Cn3ccnc3)c2c1.
What is the InChIKey of 2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone?
The InChIKey is ORXWSLDGQVRACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-15(13(18)8-17-6-5-16-9-17)12-7-11(19-2)3-4-14(12)20-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone?
2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone has a molecular weight of 270.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 3076954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).