ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate

C11H11FN2O2 — CID 63358168

IUPACethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
SMILESCCOC(=O)c1nc2cc(F)ccc2n1C
InChIInChI=1S/C11H11FN2O2/c1-3-16-11(15)10-13-8-6-7(12)4-5-9(8)14(10)2/h4-6H,3H2,1-2H3
InChIKeyYFITXRYZSDKWDZ-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.89
Rot. Bonds2

About ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate

ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate (PubChem CID 63358168) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
PubChem CID63358168
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Nameethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
SMILESCCOC(=O)c1nc2cc(F)ccc2n1C
InChIInChI=1S/C11H11FN2O2/c1-3-16-11(15)10-13-8-6-7(12)4-5-9(8)14(10)2/h4-6H,3H2,1-2H3
InChIKeyYFITXRYZSDKWDZ-UHFFFAOYSA-N
XLogP1.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
ethyl 5-fluoro-1-propylbenzimidazole-2-carboxylate
CID 55189985
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720
ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate
CID 55189984
methyl 5-(aminomethyl)-1-methylbenzimidazole-2-carboxylate
CID 84786620
ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate
CID 10489867
ethyl 4-amino-5-fluoro-1-methylimidazole-2-carboxylate
CID 71743159
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate
CID 71743160
2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 43661245

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate?
The IUPAC name of ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate (CID 63358168) is ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate?
The canonical SMILES for ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate is CCOC(=O)c1nc2cc(F)ccc2n1C.
What is the InChIKey of ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate?
The InChIKey is YFITXRYZSDKWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-3-16-11(15)10-13-8-6-7(12)4-5-9(8)14(10)2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate?
ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate has a molecular weight of 222.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate is sourced from PubChem (CID 63358168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).