4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine

C11H9FN4O — CID 106419851

IUPAC4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1Cc1ccno1
InChIInChI=1S/C11H9FN4O/c12-8-2-1-3-9-10(8)15-11(13)16(9)6-7-4-5-14-17-7/h1-5H,6H2,(H2,13,15)
InChIKeyQIZOPQVNQTXEMF-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.79
Rot. Bonds2

About 4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine

4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine (PubChem CID 106419851) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
PubChem CID106419851
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1Cc1ccno1
InChIInChI=1S/C11H9FN4O/c12-8-2-1-3-9-10(8)15-11(13)16(9)6-7-4-5-14-17-7/h1-5H,6H2,(H2,13,15)
InChIKeyQIZOPQVNQTXEMF-UHFFFAOYSA-N
XLogP1.79
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine (CID 106419851) is 4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine is Nc1nc2c(F)cccc2n1Cc1ccno1.
What is the InChIKey of 4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The InChIKey is QIZOPQVNQTXEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c12-8-2-1-3-9-10(8)15-11(13)16(9)6-7-4-5-14-17-7/h1-5H,6H2,(H2,13,15).
What are the key properties of 4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine has a molecular weight of 232.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 106419851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).