ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate

C11H10ClFN2O2 — CID 4915159

IUPACethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C11H10ClFN2O2/c1-2-17-11(16)5-10-14-8-3-6(12)7(13)4-9(8)15-10/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyISNWAQWWOMUGIQ-UHFFFAOYSA-N
MW256.66 g/mol
LogP2.46
Rot. Bonds3

About ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate

ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate (PubChem CID 4915159) has the molecular formula C11H10ClFN2O2 and a molecular weight of 256.66 g/mol. Its IUPAC name is ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate
PubChem CID4915159
Molecular FormulaC11H10ClFN2O2
Molecular Weight256.66 g/mol
Exact Mass256.04
IUPAC Nameethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C11H10ClFN2O2/c1-2-17-11(16)5-10-14-8-3-6(12)7(13)4-9(8)15-10/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyISNWAQWWOMUGIQ-UHFFFAOYSA-N
XLogP2.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate (CID 4915159) is ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate is CCOC(=O)Cc1nc2cc(Cl)c(F)cc2[nH]1.
What is the InChIKey of ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate?
The InChIKey is ISNWAQWWOMUGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2/c1-2-17-11(16)5-10-14-8-3-6(12)7(13)4-9(8)15-10/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate?
ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate has a molecular weight of 256.66 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)acetate is sourced from PubChem (CID 4915159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).