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

C17H16N2O3 — CID 645078

IUPAC2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
SMILESCCc1cc(C(=O)Cc2nc3ccccc3[nH]2)c(O)cc1O
InChIInChI=1S/C17H16N2O3/c1-2-10-7-11(15(21)8-14(10)20)16(22)9-17-18-12-5-3-4-6-13(12)19-17/h3-8,20-21H,2,9H2,1H3,(H,18,19)
InChIKeyNOAMWSDXXUFTRI-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.96
Rot. Bonds4

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

2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone (PubChem CID 645078) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
PubChem CID645078
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
SMILESCCc1cc(C(=O)Cc2nc3ccccc3[nH]2)c(O)cc1O
InChIInChI=1S/C17H16N2O3/c1-2-10-7-11(15(21)8-14(10)20)16(22)9-17-18-12-5-3-4-6-13(12)19-17/h3-8,20-21H,2,9H2,1H3,(H,18,19)
InChIKeyNOAMWSDXXUFTRI-UHFFFAOYSA-N
XLogP2.96
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-1H-benzimidazol-2-yl-2-hydroxy-
CID 583995
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(3-acetylphenyl)-4-hydroxyphenyl]butanedioic acid
CID 135530568
2-(1,3-Dihydro-benzoimidazol-2-ylidene)-1,3-diphenyl-propane-1,3-dione
CID 135406049
Benzimidazole derivative 3
CID 5268800
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(2-acetylphenyl)-4-hydroxyphenyl]butanedioic acid
CID 135543032
1-(2,4-dihydroxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 2094324
6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-(piperidin-1-ylmethyl)-4H-chromen-4-one
CID 1286957
4-(6-(4-butylphenyl)-1H-benzo[d]imidazol-2-yl)-2-hydroxybenzoic acid
CID 16062172
2-[3-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-(5-carboxy-2-hydroxyphenyl)-4-hydroxyphenyl]butanedioic acid
CID 135543055
2-[3-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-(5-carbamoyl-2-hydroxyphenyl)-4-hydroxyphenyl]butanedioic acid
CID 135547926
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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone (CID 645078) is 2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone is CCc1cc(C(=O)Cc2nc3ccccc3[nH]2)c(O)cc1O.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The InChIKey is NOAMWSDXXUFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-10-7-11(15(21)8-14(10)20)16(22)9-17-18-12-5-3-4-6-13(12)19-17/h3-8,20-21H,2,9H2,1H3,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone has a molecular weight of 296.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 645078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).