(E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one

C22H16N2O2 — CID 155535924

IUPAC(E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-n2cnc3ccccc32)cc1)c1cccc(O)c1
InChIInChI=1S/C22H16N2O2/c25-19-5-3-4-17(14-19)22(26)13-10-16-8-11-18(12-9-16)24-15-23-20-6-1-2-7-21(20)24/h1-15,25H/b13-10+
InChIKeyOFWLIONWWZAJBY-JLHYYAGUSA-N
MW340.38 g/mol
LogP4.63
Rot. Bonds4

About (E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one

(E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 155535924) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID155535924
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name(E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-n2cnc3ccccc32)cc1)c1cccc(O)c1
InChIInChI=1S/C22H16N2O2/c25-19-5-3-4-17(14-19)22(26)13-10-16-8-11-18(12-9-16)24-15-23-20-6-1-2-7-21(20)24/h1-15,25H/b13-10+
InChIKeyOFWLIONWWZAJBY-JLHYYAGUSA-N
XLogP4.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(1H-1,3-benzodiazol-1-yl)benzoic acid
CID 703493
N-[1-(2-Diethylamino-ethyl)-1H-benzoimidazol-2-yl]-2-hydroxy-benzamide
CID 1075578
1-Cyclohexyl-2-(2-fluoro-4-hydroxy-phenyl)-1H-benzoimidazole-5-carboxylic acid
CID 135421265
1-Cyclohexyl-2-(4-hydroxy-phenyl)-1H-benzoimidazole-5-carboxylic acid
CID 135477944
4-(1H-1,3-benzodiazol-1-yl)benzoic acid
CID 4962189
3-(1h-Benzo[d]imidazol-1-yl)benzoic acid
CID 5328440
1-(3,4-Dihydroxyphenyl)-2-[(1-phenethylbenzimidazol-2-yl)thio]ethanone
CID 4839003
6-[4-(1H-Benzoimidazol-2-yl)-piperazin-1-yl]-1-(2-hydroxy-phenyl)-hexan-1-one
CID 11101259
2-(1-Benzimidazolyl)-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride
CID 25067494
CID 25067495
CID 25067495
2-(4-hydroxybenzyl)-N,N-diethyl-1-isopentyl-1H-benzo[d]imidazole-5-carboxamide
CID 44561150
1-(3,4-Dihydroxyphenyl)-2-[2-(2-pyridyl)benzimidazol-1-yl]ethanone
CID 57398293

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one (CID 155535924) is (E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(-n2cnc3ccccc32)cc1)c1cccc(O)c1.
What is the InChIKey of (E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is OFWLIONWWZAJBY-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-19-5-3-4-17(14-19)22(26)13-10-16-8-11-18(12-9-16)24-15-23-20-6-1-2-7-21(20)24/h1-15,25H/b13-10+.
What are the key properties of (E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one?
(E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 340.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(benzimidazol-1-yl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 155535924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).