5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine

C13H16FN3O — CID 43662119

IUPAC5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine
SMILESCC(C1CCCO1)n1c(N)nc2cc(F)ccc21
InChIInChI=1S/C13H16FN3O/c1-8(12-3-2-6-18-12)17-11-5-4-9(14)7-10(11)16-13(17)15/h4-5,7-8,12H,2-3,6H2,1H3,(H2,15,16)
InChIKeyNUDWBVBJUBPIMV-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.50
Rot. Bonds2

About 5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine

5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 43662119) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine
PubChem CID43662119
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine
SMILESCC(C1CCCO1)n1c(N)nc2cc(F)ccc21
InChIInChI=1S/C13H16FN3O/c1-8(12-3-2-6-18-12)17-11-5-4-9(14)7-10(11)16-13(17)15/h4-5,7-8,12H,2-3,6H2,1H3,(H2,15,16)
InChIKeyNUDWBVBJUBPIMV-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine (CID 43662119) is 5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine is CC(C1CCCO1)n1c(N)nc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is NUDWBVBJUBPIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8(12-3-2-6-18-12)17-11-5-4-9(14)7-10(11)16-13(17)15/h4-5,7-8,12H,2-3,6H2,1H3,(H2,15,16).
What are the key properties of 5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine?
5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 249.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 43662119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).