ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate

C11H11FN2O2 — CID 63357942

IUPACethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(F)cc2n1C
InChIInChI=1S/C11H11FN2O2/c1-3-16-11(15)10-13-8-5-4-7(12)6-9(8)14(10)2/h4-6H,3H2,1-2H3
InChIKeyAMAORFSWYLDALR-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.89
Rot. Bonds2

About ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate

ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate (PubChem CID 63357942) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
PubChem CID63357942
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Nameethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(F)cc2n1C
InChIInChI=1S/C11H11FN2O2/c1-3-16-11(15)10-13-8-5-4-7(12)6-9(8)14(10)2/h4-6H,3H2,1-2H3
InChIKeyAMAORFSWYLDALR-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 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168
ethyl 5-fluoro-1-propylbenzimidazole-2-carboxylate
CID 55189985
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720
methyl 1-ethyl-6-fluorobenzimidazole-2-carboxylate
CID 112617601
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
ethyl 3-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62376679
ethyl 4-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]butanoate
CID 64577778
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate
CID 79474955
2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
CID 62376035
ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate
CID 79474644

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate?
The IUPAC name of ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate (CID 63357942) is ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate?
The canonical SMILES for ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate is CCOC(=O)c1nc2ccc(F)cc2n1C.
What is the InChIKey of ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate?
The InChIKey is AMAORFSWYLDALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-3-16-11(15)10-13-8-5-4-7(12)6-9(8)14(10)2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate?
ethyl 6-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 6-fluoro-1-methylbenzimidazole-2-carboxylate is sourced from PubChem (CID 63357942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).