2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol

C9H14N2O — CID 21479137

IUPAC2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol
SMILESOCCN1CNC2C=CC=CC21
InChIInChI=1S/C9H14N2O/c12-6-5-11-7-10-8-3-1-2-4-9(8)11/h1-4,8-10,12H,5-7H2
InChIKeyMMFXSOZHRZZLRP-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.30
Rot. Bonds2

About 2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol

2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol (PubChem CID 21479137) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol
PubChem CID21479137
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol
SMILESOCCN1CNC2C=CC=CC21
InChIInChI=1S/C9H14N2O/c12-6-5-11-7-10-8-3-1-2-4-9(8)11/h1-4,8-10,12H,5-7H2
InChIKeyMMFXSOZHRZZLRP-UHFFFAOYSA-N
XLogP-0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol (CID 21479137) is 2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol is OCCN1CNC2C=CC=CC21.
What is the InChIKey of 2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol?
The InChIKey is MMFXSOZHRZZLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-6-5-11-7-10-8-3-1-2-4-9(8)11/h1-4,8-10,12H,5-7H2.
What are the key properties of 2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol?
2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol has a molecular weight of 166.22 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol is sourced from PubChem (CID 21479137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).