5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole

C18H15BrF2N2O2 — CID 118093667

IUPAC5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole
SMILESFc1ccc(Oc2cc3c(cc2Br)ncn3C2CCCCO2)c(F)c1
InChIInChI=1S/C18H15BrF2N2O2/c19-12-8-14-15(23(10-22-14)18-3-1-2-6-24-18)9-17(12)25-16-5-4-11(20)7-13(16)21/h4-5,7-10,18H,1-3,6H2
InChIKeyBSLLUHHVUCPOIK-UHFFFAOYSA-N
MW409.23 g/mol
LogP5.57
Rot. Bonds3

About 5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole

5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole (PubChem CID 118093667) has the molecular formula C18H15BrF2N2O2 and a molecular weight of 409.23 g/mol. Its IUPAC name is 5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole
PubChem CID118093667
Molecular FormulaC18H15BrF2N2O2
Molecular Weight409.23 g/mol
Exact Mass408.03
IUPAC Name5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole
SMILESFc1ccc(Oc2cc3c(cc2Br)ncn3C2CCCCO2)c(F)c1
InChIInChI=1S/C18H15BrF2N2O2/c19-12-8-14-15(23(10-22-14)18-3-1-2-6-24-18)9-17(12)25-16-5-4-11(20)7-13(16)21/h4-5,7-10,18H,1-3,6H2
InChIKeyBSLLUHHVUCPOIK-UHFFFAOYSA-N
XLogP5.57
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.23
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole?
The IUPAC name of 5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole (CID 118093667) is 5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole.
What is the SMILES notation for 5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole?
The canonical SMILES for 5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole is Fc1ccc(Oc2cc3c(cc2Br)ncn3C2CCCCO2)c(F)c1.
What is the InChIKey of 5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole?
The InChIKey is BSLLUHHVUCPOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF2N2O2/c19-12-8-14-15(23(10-22-14)18-3-1-2-6-24-18)9-17(12)25-16-5-4-11(20)7-13(16)21/h4-5,7-10,18H,1-3,6H2.
What are the key properties of 5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole?
5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole has a molecular weight of 409.23 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,4-difluorophenoxy)-1-(oxan-2-yl)benzimidazole is sourced from PubChem (CID 118093667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).