2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole

C13H16FN3 — CID 84796157

IUPAC2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole
SMILESCCc1nc2c(F)cccc2n1C1CCNC1
InChIInChI=1S/C13H16FN3/c1-2-12-16-13-10(14)4-3-5-11(13)17(12)9-6-7-15-8-9/h3-5,9,15H,2,6-8H2,1H3
InChIKeyAOBUZSMVQKMLKL-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.27
Rot. Bonds2

About 2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole

2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole (PubChem CID 84796157) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole.

Molecular Properties

Compound Name2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole
PubChem CID84796157
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole
SMILESCCc1nc2c(F)cccc2n1C1CCNC1
InChIInChI=1S/C13H16FN3/c1-2-12-16-13-10(14)4-3-5-11(13)17(12)9-6-7-15-8-9/h3-5,9,15H,2,6-8H2,1H3
InChIKeyAOBUZSMVQKMLKL-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole?
The IUPAC name of 2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole (CID 84796157) is 2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole.
What is the SMILES notation for 2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole?
The canonical SMILES for 2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole is CCc1nc2c(F)cccc2n1C1CCNC1.
What is the InChIKey of 2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole?
The InChIKey is AOBUZSMVQKMLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-12-16-13-10(14)4-3-5-11(13)17(12)9-6-7-15-8-9/h3-5,9,15H,2,6-8H2,1H3.
What are the key properties of 2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole?
2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole has a molecular weight of 233.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole is sourced from PubChem (CID 84796157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).