ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate

C12H13FN2O2 — CID 79474236

IUPACethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cc(F)ccc2n1C
InChIInChI=1S/C12H13FN2O2/c1-3-17-12(16)7-11-14-9-6-8(13)4-5-10(9)15(11)2/h4-6H,3,7H2,1-2H3
InChIKeyANRWKGBOAUHQIE-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.82
Rot. Bonds3

About ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate

ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate (PubChem CID 79474236) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
PubChem CID79474236
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Nameethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cc(F)ccc2n1C
InChIInChI=1S/C12H13FN2O2/c1-3-17-12(16)7-11-14-9-6-8(13)4-5-10(9)15(11)2/h4-6H,3,7H2,1-2H3
InChIKeyANRWKGBOAUHQIE-UHFFFAOYSA-N
XLogP1.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168
ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate
CID 79474955
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
ethyl 5-fluoro-1-propylbenzimidazole-2-carboxylate
CID 55189985
2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile
CID 82332311
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882368
ethyl 4-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]butanoate
CID 64577778
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate (CID 79474236) is ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate is CCOC(=O)Cc1nc2cc(F)ccc2n1C.
What is the InChIKey of ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate?
The InChIKey is ANRWKGBOAUHQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-3-17-12(16)7-11-14-9-6-8(13)4-5-10(9)15(11)2/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate?
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate has a molecular weight of 236.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate is sourced from PubChem (CID 79474236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).