3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one

C15H14N2O3 — CID 118796334

IUPAC3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one
SMILESCCc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O
InChIInChI=1S/C15H14N2O3/c1-2-9-7-12(14(19)8-13(9)18)17-11-6-4-3-5-10(11)16-15(17)20/h3-8,18-19H,2H2,1H3,(H,16,20)
InChIKeyZNBISFUDIQEGEX-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.29
Rot. Bonds2

About 3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one

3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one (PubChem CID 118796334) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one
PubChem CID118796334
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one
SMILESCCc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O
InChIInChI=1S/C15H14N2O3/c1-2-9-7-12(14(19)8-13(9)18)17-11-6-4-3-5-10(11)16-15(17)20/h3-8,18-19H,2H2,1H3,(H,16,20)
InChIKeyZNBISFUDIQEGEX-UHFFFAOYSA-N
XLogP2.29
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one (CID 118796334) is 3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one is CCc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O.
What is the InChIKey of 3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one?
The InChIKey is ZNBISFUDIQEGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-9-7-12(14(19)8-13(9)18)17-11-6-4-3-5-10(11)16-15(17)20/h3-8,18-19H,2H2,1H3,(H,16,20).
What are the key properties of 3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one?
3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one has a molecular weight of 270.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2,4-dihydroxyphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 118796334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).