6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine

C15H11FN4O — CID 155607673

IUPAC6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCn1c(Nc2nc3ccc(F)cc3o2)nc2ccccc21
InChIInChI=1S/C15H11FN4O/c1-20-12-5-3-2-4-10(12)17-14(20)19-15-18-11-7-6-9(16)8-13(11)21-15/h2-8H,1H3,(H,17,18,19)
InChIKeyYFWXRDXBQPHCMA-UHFFFAOYSA-N
MW282.28 g/mol
LogP3.60
Rot. Bonds2

About 6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine

6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 155607673) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
PubChem CID155607673
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCn1c(Nc2nc3ccc(F)cc3o2)nc2ccccc21
InChIInChI=1S/C15H11FN4O/c1-20-12-5-3-2-4-10(12)17-14(20)19-15-18-11-7-6-9(16)8-13(11)21-15/h2-8H,1H3,(H,17,18,19)
InChIKeyYFWXRDXBQPHCMA-UHFFFAOYSA-N
XLogP3.60
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine (CID 155607673) is 6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine is Cn1c(Nc2nc3ccc(F)cc3o2)nc2ccccc21.
What is the InChIKey of 6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is YFWXRDXBQPHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c1-20-12-5-3-2-4-10(12)17-14(20)19-15-18-11-7-6-9(16)8-13(11)21-15/h2-8H,1H3,(H,17,18,19).
What are the key properties of 6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 282.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 155607673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).