ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate

C13H15FN2O2 — CID 79474955

IUPACethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2ccc(F)cc2n1CC
InChIInChI=1S/C13H15FN2O2/c1-3-16-11-7-9(14)5-6-10(11)15-12(16)8-13(17)18-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyYGRGXULFVTYXJJ-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.30
Rot. Bonds4

About ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate

ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate (PubChem CID 79474955) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate
PubChem CID79474955
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Nameethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2ccc(F)cc2n1CC
InChIInChI=1S/C13H15FN2O2/c1-3-16-11-7-9(14)5-6-10(11)15-12(16)8-13(17)18-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyYGRGXULFVTYXJJ-UHFFFAOYSA-N
XLogP2.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
ethyl 4-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]butanoate
CID 64577778
ethyl 3-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62376679
ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate
CID 19101699
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
methyl 1-ethyl-6-fluorobenzimidazole-2-carboxylate
CID 112617601
1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672416
3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153985
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79872626
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid
CID 62924974
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18734035

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate?
The IUPAC name of ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate (CID 79474955) is ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate is CCOC(=O)Cc1nc2ccc(F)cc2n1CC.
What is the InChIKey of ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate?
The InChIKey is YGRGXULFVTYXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-16-11-7-9(14)5-6-10(11)15-12(16)8-13(17)18-4-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate?
ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate has a molecular weight of 250.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate is sourced from PubChem (CID 79474955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).