4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine

C17H15BrFN3O — CID 155516464

IUPAC4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine
SMILESFc1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc1Br
InChIInChI=1S/C17H15BrFN3O/c18-13-9-11(1-3-14(13)19)17-20-15-4-2-12(10-16(15)21-17)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,20,21)
InChIKeyGWJPEPIHQGKWIY-UHFFFAOYSA-N
MW376.23 g/mol
LogP3.97
Rot. Bonds2

About 4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine

4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine (PubChem CID 155516464) has the molecular formula C17H15BrFN3O and a molecular weight of 376.23 g/mol. Its IUPAC name is 4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine
PubChem CID155516464
Molecular FormulaC17H15BrFN3O
Molecular Weight376.23 g/mol
Exact Mass375.04
IUPAC Name4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine
SMILESFc1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc1Br
InChIInChI=1S/C17H15BrFN3O/c18-13-9-11(1-3-14(13)19)17-20-15-4-2-12(10-16(15)21-17)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,20,21)
InChIKeyGWJPEPIHQGKWIY-UHFFFAOYSA-N
XLogP3.97
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine (CID 155516464) is 4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine is Fc1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc1Br.
What is the InChIKey of 4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine?
The InChIKey is GWJPEPIHQGKWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O/c18-13-9-11(1-3-14(13)19)17-20-15-4-2-12(10-16(15)21-17)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,20,21).
What are the key properties of 4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine?
4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine has a molecular weight of 376.23 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromo-4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine is sourced from PubChem (CID 155516464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).