5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine

C15H12BrF2N3 — CID 62616840

IUPAC5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1CCc1cc(F)cc(F)c1
InChIInChI=1S/C15H12BrF2N3/c16-10-1-2-14-13(7-10)20-15(19)21(14)4-3-9-5-11(17)8-12(18)6-9/h1-2,5-8H,3-4H2,(H2,19,20)
InChIKeyZTPGVDAZSHBZAP-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.90
Rot. Bonds3

About 5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine

5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine (PubChem CID 62616840) has the molecular formula C15H12BrF2N3 and a molecular weight of 352.18 g/mol. Its IUPAC name is 5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine
PubChem CID62616840
Molecular FormulaC15H12BrF2N3
Molecular Weight352.18 g/mol
Exact Mass351.02
IUPAC Name5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1CCc1cc(F)cc(F)c1
InChIInChI=1S/C15H12BrF2N3/c16-10-1-2-14-13(7-10)20-15(19)21(14)4-3-9-5-11(17)8-12(18)6-9/h1-2,5-8H,3-4H2,(H2,19,20)
InChIKeyZTPGVDAZSHBZAP-UHFFFAOYSA-N
XLogP3.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine (CID 62616840) is 5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine is Nc1nc2cc(Br)ccc2n1CCc1cc(F)cc(F)c1.
What is the InChIKey of 5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine?
The InChIKey is ZTPGVDAZSHBZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2N3/c16-10-1-2-14-13(7-10)20-15(19)21(14)4-3-9-5-11(17)8-12(18)6-9/h1-2,5-8H,3-4H2,(H2,19,20).
What are the key properties of 5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine?
5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine has a molecular weight of 352.18 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 62616840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).