2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine

C15H13BrFN3 — CID 79631765

IUPAC2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1
InChIInChI=1S/C15H13BrFN3/c16-11-7-13-14(8-12(11)17)20-15(19-13)10-3-1-9(2-4-10)5-6-18/h1-4,7-8H,5-6,18H2,(H,19,20)
InChIKeyDRBBJJWCJAJFIK-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.63
Rot. Bonds3

About 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine

2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine (PubChem CID 79631765) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
PubChem CID79631765
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1
InChIInChI=1S/C15H13BrFN3/c16-11-7-13-14(8-12(11)17)20-15(19-13)10-3-1-9(2-4-10)5-6-18/h1-4,7-8H,5-6,18H2,(H,19,20)
InChIKeyDRBBJJWCJAJFIK-UHFFFAOYSA-N
XLogP3.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine (CID 79631765) is 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine is NCCc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine?
The InChIKey is DRBBJJWCJAJFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c16-11-7-13-14(8-12(11)17)20-15(19-13)10-3-1-9(2-4-10)5-6-18/h1-4,7-8H,5-6,18H2,(H,19,20).
What are the key properties of 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine?
2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine has a molecular weight of 334.19 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 79631765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).