2-(4-bromo-1H-benzimidazol-2-yl)ethanol

C9H9BrN2O — CID 83866918

IUPAC2-(4-bromo-1H-benzimidazol-2-yl)ethanol
SMILESOCCc1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C9H9BrN2O/c10-6-2-1-3-7-9(6)12-8(11-7)4-5-13/h1-3,13H,4-5H2,(H,11,12)
InChIKeyCJYPPMGHRPAMMR-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.86
Rot. Bonds2

About 2-(4-bromo-1H-benzimidazol-2-yl)ethanol

2-(4-bromo-1H-benzimidazol-2-yl)ethanol (PubChem CID 83866918) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-(4-bromo-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1H-benzimidazol-2-yl)ethanol
PubChem CID83866918
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name2-(4-bromo-1H-benzimidazol-2-yl)ethanol
SMILESOCCc1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C9H9BrN2O/c10-6-2-1-3-7-9(6)12-8(11-7)4-5-13/h1-3,13H,4-5H2,(H,11,12)
InChIKeyCJYPPMGHRPAMMR-UHFFFAOYSA-N
XLogP1.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of 2-(4-bromo-1H-benzimidazol-2-yl)ethanol (CID 83866918) is 2-(4-bromo-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for 2-(4-bromo-1H-benzimidazol-2-yl)ethanol is OCCc1nc2c(Br)cccc2[nH]1.
What is the InChIKey of 2-(4-bromo-1H-benzimidazol-2-yl)ethanol?
The InChIKey is CJYPPMGHRPAMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-6-2-1-3-7-9(6)12-8(11-7)4-5-13/h1-3,13H,4-5H2,(H,11,12).
What are the key properties of 2-(4-bromo-1H-benzimidazol-2-yl)ethanol?
2-(4-bromo-1H-benzimidazol-2-yl)ethanol has a molecular weight of 241.09 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 83866918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).