3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine

C13H16FN3O — CID 64888050

IUPAC3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine
SMILESCCn1c(C2(N)CCOC2)nc2c(F)cccc21
InChIInChI=1S/C13H16FN3O/c1-2-17-10-5-3-4-9(14)11(10)16-12(17)13(15)6-7-18-8-13/h3-5H,2,6-8,15H2,1H3
InChIKeyREKBCUMJURNUHD-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.77
Rot. Bonds2

About 3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine

3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine (PubChem CID 64888050) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine
PubChem CID64888050
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine
SMILESCCn1c(C2(N)CCOC2)nc2c(F)cccc21
InChIInChI=1S/C13H16FN3O/c1-2-17-10-5-3-4-9(14)11(10)16-12(17)13(15)6-7-18-8-13/h3-5H,2,6-8,15H2,1H3
InChIKeyREKBCUMJURNUHD-UHFFFAOYSA-N
XLogP1.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine?
The IUPAC name of 3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine (CID 64888050) is 3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for 3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine is CCn1c(C2(N)CCOC2)nc2c(F)cccc21.
What is the InChIKey of 3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine?
The InChIKey is REKBCUMJURNUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-17-10-5-3-4-9(14)11(10)16-12(17)13(15)6-7-18-8-13/h3-5H,2,6-8,15H2,1H3.
What are the key properties of 3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine?
3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine has a molecular weight of 249.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 64888050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).