6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine

C15H13BrFN3 — CID 65347258

IUPAC6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1CCc1ccccc1F
InChIInChI=1S/C15H13BrFN3/c16-11-5-6-13-14(9-11)20(15(18)19-13)8-7-10-3-1-2-4-12(10)17/h1-6,9H,7-8H2,(H2,18,19)
InChIKeyDOVKXBPJZGNJCI-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.76
Rot. Bonds3

About 6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine

6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine (PubChem CID 65347258) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine
PubChem CID65347258
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1CCc1ccccc1F
InChIInChI=1S/C15H13BrFN3/c16-11-5-6-13-14(9-11)20(15(18)19-13)8-7-10-3-1-2-4-12(10)17/h1-6,9H,7-8H2,(H2,18,19)
InChIKeyDOVKXBPJZGNJCI-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine (CID 65347258) is 6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1CCc1ccccc1F.
What is the InChIKey of 6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine?
The InChIKey is DOVKXBPJZGNJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c16-11-5-6-13-14(9-11)20(15(18)19-13)8-7-10-3-1-2-4-12(10)17/h1-6,9H,7-8H2,(H2,18,19).
What are the key properties of 6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine?
6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine has a molecular weight of 334.19 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 65347258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).