1-(6-methyl-1H-benzimidazol-2-yl)ethanol

C10H12N2O — CID 3160407

IUPAC1-(6-methyl-1H-benzimidazol-2-yl)ethanol
SMILESCc1ccc2nc(C(C)O)[nH]c2c1
InChIInChI=1S/C10H12N2O/c1-6-3-4-8-9(5-6)12-10(11-8)7(2)13/h3-5,7,13H,1-2H3,(H,11,12)
InChIKeyPMZZBUJEPJUANN-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.92
Rot. Bonds1

About 1-(6-methyl-1H-benzimidazol-2-yl)ethanol

1-(6-methyl-1H-benzimidazol-2-yl)ethanol (PubChem CID 3160407) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(6-methyl-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-methyl-1H-benzimidazol-2-yl)ethanol
PubChem CID3160407
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(6-methyl-1H-benzimidazol-2-yl)ethanol
SMILESCc1ccc2nc(C(C)O)[nH]c2c1
InChIInChI=1S/C10H12N2O/c1-6-3-4-8-9(5-6)12-10(11-8)7(2)13/h3-5,7,13H,1-2H3,(H,11,12)
InChIKeyPMZZBUJEPJUANN-UHFFFAOYSA-N
XLogP1.92
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of 1-(6-methyl-1H-benzimidazol-2-yl)ethanol (CID 3160407) is 1-(6-methyl-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(6-methyl-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(6-methyl-1H-benzimidazol-2-yl)ethanol is Cc1ccc2nc(C(C)O)[nH]c2c1.
What is the InChIKey of 1-(6-methyl-1H-benzimidazol-2-yl)ethanol?
The InChIKey is PMZZBUJEPJUANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-3-4-8-9(5-6)12-10(11-8)7(2)13/h3-5,7,13H,1-2H3,(H,11,12).
What are the key properties of 1-(6-methyl-1H-benzimidazol-2-yl)ethanol?
1-(6-methyl-1H-benzimidazol-2-yl)ethanol has a molecular weight of 176.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 3160407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).