2-(1H-benzimidazol-4-yloxy)ethanol

C9H10N2O2 — CID 70333523

IUPAC2-(1H-benzimidazol-4-yloxy)ethanol
SMILESOCCOc1cccc2[nH]cnc12
InChIInChI=1S/C9H10N2O2/c12-4-5-13-8-3-1-2-7-9(8)11-6-10-7/h1-3,6,12H,4-5H2,(H,10,11)
InChIKeyDCLCZPCBJRYEOI-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.93
Rot. Bonds3

About 2-(1H-benzimidazol-4-yloxy)ethanol

2-(1H-benzimidazol-4-yloxy)ethanol (PubChem CID 70333523) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(1H-benzimidazol-4-yloxy)ethanol.

Molecular Properties

Compound Name2-(1H-benzimidazol-4-yloxy)ethanol
PubChem CID70333523
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-(1H-benzimidazol-4-yloxy)ethanol
SMILESOCCOc1cccc2[nH]cnc12
InChIInChI=1S/C9H10N2O2/c12-4-5-13-8-3-1-2-7-9(8)11-6-10-7/h1-3,6,12H,4-5H2,(H,10,11)
InChIKeyDCLCZPCBJRYEOI-UHFFFAOYSA-N
XLogP0.93
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-4-yloxy)ethanol?
The IUPAC name of 2-(1H-benzimidazol-4-yloxy)ethanol (CID 70333523) is 2-(1H-benzimidazol-4-yloxy)ethanol.
What is the SMILES notation for 2-(1H-benzimidazol-4-yloxy)ethanol?
The canonical SMILES for 2-(1H-benzimidazol-4-yloxy)ethanol is OCCOc1cccc2[nH]cnc12.
What is the InChIKey of 2-(1H-benzimidazol-4-yloxy)ethanol?
The InChIKey is DCLCZPCBJRYEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-4-5-13-8-3-1-2-7-9(8)11-6-10-7/h1-3,6,12H,4-5H2,(H,10,11).
What are the key properties of 2-(1H-benzimidazol-4-yloxy)ethanol?
2-(1H-benzimidazol-4-yloxy)ethanol has a molecular weight of 178.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-4-yloxy)ethanol is sourced from PubChem (CID 70333523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).