5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine

C12H14FN3O — CID 82729284

IUPAC5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
SMILESCC1OCCC1n1c(N)nc2cc(F)ccc21
InChIInChI=1S/C12H14FN3O/c1-7-10(4-5-17-7)16-11-3-2-8(13)6-9(11)15-12(16)14/h2-3,6-7,10H,4-5H2,1H3,(H2,14,15)
InChIKeyBPHPDPVDLNPLSF-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.11
Rot. Bonds1

About 5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine

5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine (PubChem CID 82729284) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
PubChem CID82729284
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
SMILESCC1OCCC1n1c(N)nc2cc(F)ccc21
InChIInChI=1S/C12H14FN3O/c1-7-10(4-5-17-7)16-11-3-2-8(13)6-9(11)15-12(16)14/h2-3,6-7,10H,4-5H2,1H3,(H2,14,15)
InChIKeyBPHPDPVDLNPLSF-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine (CID 82729284) is 5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine is CC1OCCC1n1c(N)nc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The InChIKey is BPHPDPVDLNPLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7-10(4-5-17-7)16-11-3-2-8(13)6-9(11)15-12(16)14/h2-3,6-7,10H,4-5H2,1H3,(H2,14,15).
What are the key properties of 5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine has a molecular weight of 235.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 82729284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).