1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone

C17H14N2O3 — CID 158401557

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc2nc(-c3ccc4c(c3)CCO4)[nH]c2c1
InChIInChI=1S/C17H14N2O3/c20-9-15(21)10-1-3-13-14(8-10)19-17(18-13)12-2-4-16-11(7-12)5-6-22-16/h1-4,7-8,20H,5-6,9H2,(H,18,19)
InChIKeyGYDXLXNUJMKSKJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.34
Rot. Bonds3

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone

1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone (PubChem CID 158401557) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
PubChem CID158401557
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc2nc(-c3ccc4c(c3)CCO4)[nH]c2c1
InChIInChI=1S/C17H14N2O3/c20-9-15(21)10-1-3-13-14(8-10)19-17(18-13)12-2-4-16-11(7-12)5-6-22-16/h1-4,7-8,20H,5-6,9H2,(H,18,19)
InChIKeyGYDXLXNUJMKSKJ-UHFFFAOYSA-N
XLogP2.34
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157105688
1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158696276
2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157296298
[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721133
2-[4-(1,3-benzodioxole-5-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 11315141
2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone
CID 162235197
1-[2-[2-fluoro-4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158420839
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 82303742
2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938226
2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one
CID 168553146
5-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-1H-1,2,4-triazole-3-thione
CID 104601953
1-[2-[5-(3-chlorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 153264729

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone (CID 158401557) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone is O=C(CO)c1ccc2nc(-c3ccc4c(c3)CCO4)[nH]c2c1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The InChIKey is GYDXLXNUJMKSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-9-15(21)10-1-3-13-14(8-10)19-17(18-13)12-2-4-16-11(7-12)5-6-22-16/h1-4,7-8,20H,5-6,9H2,(H,18,19).
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone has a molecular weight of 294.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone is sourced from PubChem (CID 158401557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).