ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate

C15H19FN2O2 — CID 79474721

IUPACethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1nc2c(F)cccc2n1C
InChIInChI=1S/C15H19FN2O2/c1-4-7-10(15(19)20-5-2)14-17-13-11(16)8-6-9-12(13)18(14)3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyCPESIVONECJFRK-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.16
Rot. Bonds5

About ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate

ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate (PubChem CID 79474721) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate
PubChem CID79474721
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Nameethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1nc2c(F)cccc2n1C
InChIInChI=1S/C15H19FN2O2/c1-4-7-10(15(19)20-5-2)14-17-13-11(16)8-6-9-12(13)18(14)3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyCPESIVONECJFRK-UHFFFAOYSA-N
XLogP3.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.16
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-methylbenzimidazol-2-yl)pentanoate?
The IUPAC name of ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate (CID 79474721) is ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate.
What is the SMILES notation for ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate?
The canonical SMILES for ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate is CCCC(C(=O)OCC)c1nc2c(F)cccc2n1C.
What is the InChIKey of ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate?
The InChIKey is CPESIVONECJFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-7-10(15(19)20-5-2)14-17-13-11(16)8-6-9-12(13)18(14)3/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate?
ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate has a molecular weight of 278.33 g/mol, XLogP of 3.16, 5 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-methylbenzimidazol-2-yl)pentanoate is sourced from PubChem (CID 79474721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).