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

C9H10N2O2 — CID 164970423

IUPAC1-(1H-benzimidazol-2-yloxy)ethanol
SMILESCC(O)Oc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10N2O2/c1-6(12)13-9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)
InChIKeyDAXAKHFCGCANRI-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.28
Rot. Bonds2

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

1-(1H-benzimidazol-2-yloxy)ethanol (PubChem CID 164970423) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yloxy)ethanol.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yloxy)ethanol
PubChem CID164970423
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-(1H-benzimidazol-2-yloxy)ethanol
SMILESCC(O)Oc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10N2O2/c1-6(12)13-9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)
InChIKeyDAXAKHFCGCANRI-UHFFFAOYSA-N
XLogP1.28
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole
CID 21195904
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
2-methylsulfanyloxy-1H-benzimidazole
CID 118398780
1H-benzimidazol-2-yl dihydrogen phosphate
CID 174491341
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-propan-2-yl-1H-benzimidazole
CID 22121
1-(1H-benzimidazol-2-yloxy)butane-2-thiol
CID 87069794
1H-benzimidazol-2-yl N-aminocarbamate
CID 174816484
1H-benzimidazol-2-yl 2-oxoacetate
CID 87309005
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
2-methyl-1H-benzimidazole
CID 11984

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yloxy)ethanol?
The IUPAC name of 1-(1H-benzimidazol-2-yloxy)ethanol (CID 164970423) is 1-(1H-benzimidazol-2-yloxy)ethanol.
What is the SMILES notation for 1-(1H-benzimidazol-2-yloxy)ethanol?
The canonical SMILES for 1-(1H-benzimidazol-2-yloxy)ethanol is CC(O)Oc1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yloxy)ethanol?
The InChIKey is DAXAKHFCGCANRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(12)13-9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11).
What are the key properties of 1-(1H-benzimidazol-2-yloxy)ethanol?
1-(1H-benzimidazol-2-yloxy)ethanol has a molecular weight of 178.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yloxy)ethanol is sourced from PubChem (CID 164970423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).