(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol

C11H14N2O3 — CID 66264286

IUPAC(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
SMILESCOc1cc2nc([C@H](C)O)[nH]c2cc1OC
InChIInChI=1S/C11H14N2O3/c1-6(14)11-12-7-4-9(15-2)10(16-3)5-8(7)13-11/h4-6,14H,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyJNIPHABAQAULLF-LURJTMIESA-N
MW222.24 g/mol
LogP1.63
Rot. Bonds3

About (1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol

(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol (PubChem CID 66264286) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
PubChem CID66264286
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
SMILESCOc1cc2nc([C@H](C)O)[nH]c2cc1OC
InChIInChI=1S/C11H14N2O3/c1-6(14)11-12-7-4-9(15-2)10(16-3)5-8(7)13-11/h4-6,14H,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyJNIPHABAQAULLF-LURJTMIESA-N
XLogP1.63
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of (1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol (CID 66264286) is (1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol is COc1cc2nc([C@H](C)O)[nH]c2cc1OC.
What is the InChIKey of (1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol?
The InChIKey is JNIPHABAQAULLF-LURJTMIESA-N. The full InChI is InChI=1S/C11H14N2O3/c1-6(14)11-12-7-4-9(15-2)10(16-3)5-8(7)13-11/h4-6,14H,1-3H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol?
(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol has a molecular weight of 222.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 66264286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).