1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole

C15H11BrF2N2O — CID 55537033

IUPAC1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole
SMILESFc1cc2ncn(CCOc3ccc(Br)cc3)c2cc1F
InChIInChI=1S/C15H11BrF2N2O/c16-10-1-3-11(4-2-10)21-6-5-20-9-19-14-7-12(17)13(18)8-15(14)20/h1-4,7-9H,5-6H2
InChIKeyCIWMYCUDCGSLSH-UHFFFAOYSA-N
MW353.17 g/mol
LogP4.16
Rot. Bonds4

About 1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole

1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole (PubChem CID 55537033) has the molecular formula C15H11BrF2N2O and a molecular weight of 353.17 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole
PubChem CID55537033
Molecular FormulaC15H11BrF2N2O
Molecular Weight353.17 g/mol
Exact Mass352.00
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole
SMILESFc1cc2ncn(CCOc3ccc(Br)cc3)c2cc1F
InChIInChI=1S/C15H11BrF2N2O/c16-10-1-3-11(4-2-10)21-6-5-20-9-19-14-7-12(17)13(18)8-15(14)20/h1-4,7-9H,5-6H2
InChIKeyCIWMYCUDCGSLSH-UHFFFAOYSA-N
XLogP4.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole (CID 55537033) is 1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole is Fc1cc2ncn(CCOc3ccc(Br)cc3)c2cc1F.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole?
The InChIKey is CIWMYCUDCGSLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2O/c16-10-1-3-11(4-2-10)21-6-5-20-9-19-14-7-12(17)13(18)8-15(14)20/h1-4,7-9H,5-6H2.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole?
1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole has a molecular weight of 353.17 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-5,6-difluorobenzimidazole is sourced from PubChem (CID 55537033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).