2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone

C25H20N2O3 — CID 163940147

IUPAC2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)COC2)c1cnc(-c2cccc(Oc3ccccc3)c2)[nH]1
InChIInChI=1S/C25H20N2O3/c28-24(12-17-9-10-19-15-29-16-20(19)11-17)23-14-26-25(27-23)18-5-4-8-22(13-18)30-21-6-2-1-3-7-21/h1-11,13-14H,12,15-16H2,(H,26,27)
InChIKeyBTNJOBOVIQKGRX-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.32
Rot. Bonds6

About 2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone

2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone (PubChem CID 163940147) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone
PubChem CID163940147
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)COC2)c1cnc(-c2cccc(Oc3ccccc3)c2)[nH]1
InChIInChI=1S/C25H20N2O3/c28-24(12-17-9-10-19-15-29-16-20(19)11-17)23-14-26-25(27-23)18-5-4-8-22(13-18)30-21-6-2-1-3-7-21/h1-11,13-14H,12,15-16H2,(H,26,27)
InChIKeyBTNJOBOVIQKGRX-UHFFFAOYSA-N
XLogP5.32
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone with MolForge

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Related Compounds

1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethyl]pyridin-2-one
CID 163940144
2-(1,3-dihydro-2-benzofuran-5-yl)-1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]ethanone;1-methyl-5-[2-oxo-2-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]ethyl]pyridin-2-one
CID 163722718
2-(3-ethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252661
methyl 2-[3-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
CID 107105199
1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone
CID 163595290
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
CID 157315843
1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one
CID 163940142
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
CID 63019690
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691
1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 62652088

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone (CID 163940147) is 2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone is O=C(Cc1ccc2c(c1)COC2)c1cnc(-c2cccc(Oc3ccccc3)c2)[nH]1.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone?
The InChIKey is BTNJOBOVIQKGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c28-24(12-17-9-10-19-15-29-16-20(19)11-17)23-14-26-25(27-23)18-5-4-8-22(13-18)30-21-6-2-1-3-7-21/h1-11,13-14H,12,15-16H2,(H,26,27).
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone?
2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone has a molecular weight of 396.45 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone is sourced from PubChem (CID 163940147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).