2-ethylbenzimidazole-2,4-diol

C9H10N2O2 — CID 135829568

IUPAC2-ethylbenzimidazole-2,4-diol
SMILESCCC1(O)N=c2cccc(O)c2=N1
InChIInChI=1S/C9H10N2O2/c1-2-9(13)10-6-4-3-5-7(12)8(6)11-9/h3-5,12-13H,2H2,1H3
InChIKeyUBVBTJPLSLWETO-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.30
Rot. Bonds1

About 2-ethylbenzimidazole-2,4-diol

2-ethylbenzimidazole-2,4-diol (PubChem CID 135829568) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-ethylbenzimidazole-2,4-diol.

Molecular Properties

Compound Name2-ethylbenzimidazole-2,4-diol
PubChem CID135829568
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-ethylbenzimidazole-2,4-diol
SMILESCCC1(O)N=c2cccc(O)c2=N1
InChIInChI=1S/C9H10N2O2/c1-2-9(13)10-6-4-3-5-7(12)8(6)11-9/h3-5,12-13H,2H2,1H3
InChIKeyUBVBTJPLSLWETO-UHFFFAOYSA-N
XLogP-0.30
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbenzimidazole-2,4-diol?
The IUPAC name of 2-ethylbenzimidazole-2,4-diol (CID 135829568) is 2-ethylbenzimidazole-2,4-diol.
What is the SMILES notation for 2-ethylbenzimidazole-2,4-diol?
The canonical SMILES for 2-ethylbenzimidazole-2,4-diol is CCC1(O)N=c2cccc(O)c2=N1.
What is the InChIKey of 2-ethylbenzimidazole-2,4-diol?
The InChIKey is UBVBTJPLSLWETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-9(13)10-6-4-3-5-7(12)8(6)11-9/h3-5,12-13H,2H2,1H3.
What are the key properties of 2-ethylbenzimidazole-2,4-diol?
2-ethylbenzimidazole-2,4-diol has a molecular weight of 178.19 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbenzimidazole-2,4-diol is sourced from PubChem (CID 135829568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).