ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate

C14H17FN2O2 — CID 79475353

IUPACethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c(F)cccc2n1C(C)C
InChIInChI=1S/C14H17FN2O2/c1-4-19-13(18)8-12-16-14-10(15)6-5-7-11(14)17(12)9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyNBUCTFPDWKDOCW-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.86
Rot. Bonds4

About ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate

ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate (PubChem CID 79475353) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
PubChem CID79475353
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Nameethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c(F)cccc2n1C(C)C
InChIInChI=1S/C14H17FN2O2/c1-4-19-13(18)8-12-16-14-10(15)6-5-7-11(14)17(12)9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyNBUCTFPDWKDOCW-UHFFFAOYSA-N
XLogP2.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate (CID 79475353) is ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate is CCOC(=O)Cc1nc2c(F)cccc2n1C(C)C.
What is the InChIKey of ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate?
The InChIKey is NBUCTFPDWKDOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-4-19-13(18)8-12-16-14-10(15)6-5-7-11(14)17(12)9(2)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate?
ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate has a molecular weight of 264.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate is sourced from PubChem (CID 79475353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).