2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol

C13H17N3O2 — CID 66240074

IUPAC2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol
SMILESNC1COCC1c1nc2ccccc2n1CCO
InChIInChI=1S/C13H17N3O2/c14-10-8-18-7-9(10)13-15-11-3-1-2-4-12(11)16(13)5-6-17/h1-4,9-10,17H,5-8,14H2
InChIKeyQTKFZUJBCZPOJO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.47
Rot. Bonds3

About 2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol

2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol (PubChem CID 66240074) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol
PubChem CID66240074
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol
SMILESNC1COCC1c1nc2ccccc2n1CCO
InChIInChI=1S/C13H17N3O2/c14-10-8-18-7-9(10)13-15-11-3-1-2-4-12(11)16(13)5-6-17/h1-4,9-10,17H,5-8,14H2
InChIKeyQTKFZUJBCZPOJO-UHFFFAOYSA-N
XLogP0.47
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 66239675
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4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine
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CID 66235655
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CID 115144104
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol (CID 66240074) is 2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol is NC1COCC1c1nc2ccccc2n1CCO.
What is the InChIKey of 2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol?
The InChIKey is QTKFZUJBCZPOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-10-8-18-7-9(10)13-15-11-3-1-2-4-12(11)16(13)5-6-17/h1-4,9-10,17H,5-8,14H2.
What are the key properties of 2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol?
2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 66240074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).