ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate

C19H19FN2O3 — CID 122212841

IUPACethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate
SMILESCCOC(=O)CCn1c(=O)n(-c2ccc(C)cc2)c2cc(F)ccc21
InChIInChI=1S/C19H19FN2O3/c1-3-25-18(23)10-11-21-16-9-6-14(20)12-17(16)22(19(21)24)15-7-4-13(2)5-8-15/h4-9,12H,3,10-11H2,1-2H3
InChIKeyRNINJJVNHDCZAM-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.19
Rot. Bonds5

About ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate

ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate (PubChem CID 122212841) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate
PubChem CID122212841
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Nameethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate
SMILESCCOC(=O)CCn1c(=O)n(-c2ccc(C)cc2)c2cc(F)ccc21
InChIInChI=1S/C19H19FN2O3/c1-3-25-18(23)10-11-21-16-9-6-14(20)12-17(16)22(19(21)24)15-7-4-13(2)5-8-15/h4-9,12H,3,10-11H2,1-2H3
InChIKeyRNINJJVNHDCZAM-UHFFFAOYSA-N
XLogP3.19
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate?
The IUPAC name of ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate (CID 122212841) is ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate?
The canonical SMILES for ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate is CCOC(=O)CCn1c(=O)n(-c2ccc(C)cc2)c2cc(F)ccc21.
What is the InChIKey of ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate?
The InChIKey is RNINJJVNHDCZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-3-25-18(23)10-11-21-16-9-6-14(20)12-17(16)22(19(21)24)15-7-4-13(2)5-8-15/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate?
ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate has a molecular weight of 342.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate is sourced from PubChem (CID 122212841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).