2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone

C15H12N2O3 — CID 157105688

IUPAC2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone
SMILESO=C(CO)c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1
InChIInChI=1S/C15H12N2O3/c18-8-14(20)10-3-6-12-13(7-10)17-15(16-12)9-1-4-11(19)5-2-9/h1-7,18-19H,8H2,(H,16,17)
InChIKeyAGGRWHJBIMNRDD-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.11
Rot. Bonds3

About 2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone

2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone (PubChem CID 157105688) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone
PubChem CID157105688
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone
SMILESO=C(CO)c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1
InChIInChI=1S/C15H12N2O3/c18-8-14(20)10-3-6-12-13(7-10)17-15(16-12)9-1-4-11(19)5-2-9/h1-7,18-19H,8H2,(H,16,17)
InChIKeyAGGRWHJBIMNRDD-UHFFFAOYSA-N
XLogP2.11
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157296298
1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158696276
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158401557
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone
CID 137256868
2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
CID 168522350
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
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 2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone (CID 157105688) is 2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone is O=C(CO)c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1.
What is the InChIKey of 2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone?
The InChIKey is AGGRWHJBIMNRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-8-14(20)10-3-6-12-13(7-10)17-15(16-12)9-1-4-11(19)5-2-9/h1-7,18-19H,8H2,(H,16,17).
What are the key properties of 2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone?
2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone has a molecular weight of 268.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone is sourced from PubChem (CID 157105688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).