ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate

C11H11FN2O2 — CID 63357720

IUPACethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
SMILESCCOC(=O)c1nc2c(F)cccc2n1C
InChIInChI=1S/C11H11FN2O2/c1-3-16-11(15)10-13-9-7(12)5-4-6-8(9)14(10)2/h4-6H,3H2,1-2H3
InChIKeyLCVRVRQMJPBIDS-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.89
Rot. Bonds2

About ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate

ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate (PubChem CID 63357720) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
PubChem CID63357720
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Nameethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
SMILESCCOC(=O)c1nc2c(F)cccc2n1C
InChIInChI=1S/C11H11FN2O2/c1-3-16-11(15)10-13-9-7(12)5-4-6-8(9)14(10)2/h4-6H,3H2,1-2H3
InChIKeyLCVRVRQMJPBIDS-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 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate
CID 79474721
ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate
CID 79475283
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate
CID 79480808
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 4-amino-5-fluoro-1-methylimidazole-2-carboxylate
CID 71743159
ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate
CID 71743160
ethyl 8-fluoro-2-methylquinoline-3-carboxylate
CID 86767447
ethyl 7-amino-1-methylbenzimidazole-2-carboxylate
CID 131268180
ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
CID 79475353

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate?
The IUPAC name of ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate (CID 63357720) is ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate?
The canonical SMILES for ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate is CCOC(=O)c1nc2c(F)cccc2n1C.
What is the InChIKey of ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate?
The InChIKey is LCVRVRQMJPBIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-3-16-11(15)10-13-9-7(12)5-4-6-8(9)14(10)2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate?
ethyl 4-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 4-fluoro-1-methylbenzimidazole-2-carboxylate is sourced from PubChem (CID 63357720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).