ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate

C15H19FN2O2 — CID 79474644

IUPACethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate
SMILESCCOC(=O)C(C)c1nc2ccc(F)cc2n1C(C)C
InChIInChI=1S/C15H19FN2O2/c1-5-20-15(19)10(4)14-17-12-7-6-11(16)8-13(12)18(14)9(2)3/h6-10H,5H2,1-4H3
InChIKeyPJBUIQUWMDBJOB-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.42
Rot. Bonds4

About ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate

ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate (PubChem CID 79474644) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate
PubChem CID79474644
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Nameethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate
SMILESCCOC(=O)C(C)c1nc2ccc(F)cc2n1C(C)C
InChIInChI=1S/C15H19FN2O2/c1-5-20-15(19)10(4)14-17-12-7-6-11(16)8-13(12)18(14)9(2)3/h6-10H,5H2,1-4H3
InChIKeyPJBUIQUWMDBJOB-UHFFFAOYSA-N
XLogP3.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate?
The IUPAC name of ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate (CID 79474644) is ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate is CCOC(=O)C(C)c1nc2ccc(F)cc2n1C(C)C.
What is the InChIKey of ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate?
The InChIKey is PJBUIQUWMDBJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-5-20-15(19)10(4)14-17-12-7-6-11(16)8-13(12)18(14)9(2)3/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate?
ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate has a molecular weight of 278.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate is sourced from PubChem (CID 79474644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).