6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine

C11H8F2N4O — CID 106419816

IUPAC6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(F)c(F)c2n1Cc1ccno1
InChIInChI=1S/C11H8F2N4O/c12-7-1-2-8-10(9(7)13)17(11(14)16-8)5-6-3-4-15-18-6/h1-4H,5H2,(H2,14,16)
InChIKeyJUUJHIWENWWKFO-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.93
Rot. Bonds2

About 6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine

6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine (PubChem CID 106419816) has the molecular formula C11H8F2N4O and a molecular weight of 250.21 g/mol. Its IUPAC name is 6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
PubChem CID106419816
Molecular FormulaC11H8F2N4O
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(F)c(F)c2n1Cc1ccno1
InChIInChI=1S/C11H8F2N4O/c12-7-1-2-8-10(9(7)13)17(11(14)16-8)5-6-3-4-15-18-6/h1-4H,5H2,(H2,14,16)
InChIKeyJUUJHIWENWWKFO-UHFFFAOYSA-N
XLogP1.93
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine (CID 106419816) is 6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine is Nc1nc2ccc(F)c(F)c2n1Cc1ccno1.
What is the InChIKey of 6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The InChIKey is JUUJHIWENWWKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O/c12-7-1-2-8-10(9(7)13)17(11(14)16-8)5-6-3-4-15-18-6/h1-4H,5H2,(H2,14,16).
What are the key properties of 6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine has a molecular weight of 250.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 106419816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).