ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate

C11H11BrN2O2 — CID 53396432

IUPACethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C11H11BrN2O2/c1-2-16-11(15)6-10-13-8-4-3-7(12)5-9(8)14-10/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyOVKDENCAYGBXKN-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.43
Rot. Bonds3

About ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate

ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate (PubChem CID 53396432) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate
PubChem CID53396432
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Nameethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C11H11BrN2O2/c1-2-16-11(15)6-10-13-8-4-3-7(12)5-9(8)14-10/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyOVKDENCAYGBXKN-UHFFFAOYSA-N
XLogP2.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate?
The IUPAC name of ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate (CID 53396432) is ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate is CCOC(=O)Cc1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate?
The InChIKey is OVKDENCAYGBXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-2-16-11(15)6-10-13-8-4-3-7(12)5-9(8)14-10/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate?
ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate has a molecular weight of 283.12 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate is sourced from PubChem (CID 53396432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).