5-bromo-1-(2-methoxyethyl)benzimidazole

C10H11BrN2O — CID 86694838

IUPAC5-bromo-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1cnc2cc(Br)ccc21
InChIInChI=1S/C10H11BrN2O/c1-14-5-4-13-7-12-9-6-8(11)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3
InChIKeyFFUYWVOODFMGHI-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.45
Rot. Bonds3

About 5-bromo-1-(2-methoxyethyl)benzimidazole

5-bromo-1-(2-methoxyethyl)benzimidazole (PubChem CID 86694838) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-1-(2-methoxyethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-(2-methoxyethyl)benzimidazole
PubChem CID86694838
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-bromo-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1cnc2cc(Br)ccc21
InChIInChI=1S/C10H11BrN2O/c1-14-5-4-13-7-12-9-6-8(11)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3
InChIKeyFFUYWVOODFMGHI-UHFFFAOYSA-N
XLogP2.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-methoxyethyl)benzimidazole?
The IUPAC name of 5-bromo-1-(2-methoxyethyl)benzimidazole (CID 86694838) is 5-bromo-1-(2-methoxyethyl)benzimidazole.
What is the SMILES notation for 5-bromo-1-(2-methoxyethyl)benzimidazole?
The canonical SMILES for 5-bromo-1-(2-methoxyethyl)benzimidazole is COCCn1cnc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(2-methoxyethyl)benzimidazole?
The InChIKey is FFUYWVOODFMGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-14-5-4-13-7-12-9-6-8(11)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 5-bromo-1-(2-methoxyethyl)benzimidazole?
5-bromo-1-(2-methoxyethyl)benzimidazole has a molecular weight of 255.11 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-methoxyethyl)benzimidazole is sourced from PubChem (CID 86694838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).