2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol

C11H18N2O2 — CID 83390608

IUPAC2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol
SMILESCOC1CCc2c(nc(CCO)n2C)C1
InChIInChI=1S/C11H18N2O2/c1-13-10-4-3-8(15-2)7-9(10)12-11(13)5-6-14/h8,14H,3-7H2,1-2H3
InChIKeyGXGMFWHSTGJIIE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.46
Rot. Bonds3

About 2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol

2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol (PubChem CID 83390608) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol
PubChem CID83390608
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol
SMILESCOC1CCc2c(nc(CCO)n2C)C1
InChIInChI=1S/C11H18N2O2/c1-13-10-4-3-8(15-2)7-9(10)12-11(13)5-6-14/h8,14H,3-7H2,1-2H3
InChIKeyGXGMFWHSTGJIIE-UHFFFAOYSA-N
XLogP0.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol?
The IUPAC name of 2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol (CID 83390608) is 2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol?
The canonical SMILES for 2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol is COC1CCc2c(nc(CCO)n2C)C1.
What is the InChIKey of 2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol?
The InChIKey is GXGMFWHSTGJIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13-10-4-3-8(15-2)7-9(10)12-11(13)5-6-14/h8,14H,3-7H2,1-2H3.
What are the key properties of 2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol?
2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol has a molecular weight of 210.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)ethanol is sourced from PubChem (CID 83390608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).