2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone

C17H16N2O3 — CID 745543

IUPAC2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
SMILESCCc1cc(C(=O)Cn2cnc3ccccc32)c(O)cc1O
InChIInChI=1S/C17H16N2O3/c1-2-11-7-12(16(21)8-15(11)20)17(22)9-19-10-18-13-5-3-4-6-14(13)19/h3-8,10,20-21H,2,9H2,1H3
InChIKeyPXDCTPSRBMFVSW-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.89
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone

2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone (PubChem CID 745543) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
PubChem CID745543
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
SMILESCCc1cc(C(=O)Cn2cnc3ccccc32)c(O)cc1O
InChIInChI=1S/C17H16N2O3/c1-2-11-7-12(16(21)8-15(11)20)17(22)9-19-10-18-13-5-3-4-6-14(13)19/h3-8,10,20-21H,2,9H2,1H3
InChIKeyPXDCTPSRBMFVSW-UHFFFAOYSA-N
XLogP2.89
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-Diethylamino-ethyl)-1H-benzoimidazol-2-yl]-2-hydroxy-benzamide
CID 1075578
2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
CID 645078
6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-(piperidin-1-ylmethyl)-4H-chromen-4-one
CID 1286957
2-[2-(Butylamino)-5,6-dimethylbenzimidazol-1-yl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 24178241
6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)-4H-chromen-4-one
CID 5322344
6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(4-methyl-1-piperazinyl)methyl]-4H-chromen-4-one
CID 1130523
6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-8-(piperidin-1-ylmethyl)-4H-chromen-4-one
CID 1280384
8-((diethylamino)methyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4H-chromen-4-one
CID 1286959
2-(1-Benzimidazolyl)-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride
CID 25067494
1-(3,5-Ditert-butyl-4-hydroxyphenyl)-2-[5,6-dimethyl-2-(methylamino)benzimidazol-1-yl]ethanone
CID 44182118
3-(1-Benzimidazolyl)-6-ethyl-7-hydroxy-1-benzopyran-4-one
CID 5391770
1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-(2-imino-2,3-dihydro-benzoimidazol-1-yl)-ethanone
CID 44328728

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone (CID 745543) is 2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone is CCc1cc(C(=O)Cn2cnc3ccccc32)c(O)cc1O.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The InChIKey is PXDCTPSRBMFVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-11-7-12(16(21)8-15(11)20)17(22)9-19-10-18-13-5-3-4-6-14(13)19/h3-8,10,20-21H,2,9H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone has a molecular weight of 296.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 745543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).