6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine

C13H17BrFN3 — CID 116738290

IUPAC6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
SMILESCCCCC(C)n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C13H17BrFN3/c1-3-4-5-8(2)18-12-6-9(14)10(15)7-11(12)17-13(18)16/h6-8H,3-5H2,1-2H3,(H2,16,17)
InChIKeyGNESMNDZKNMMGM-UHFFFAOYSA-N
MW314.20 g/mol
LogP4.27
Rot. Bonds4

About 6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine

6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine (PubChem CID 116738290) has the molecular formula C13H17BrFN3 and a molecular weight of 314.20 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
PubChem CID116738290
Molecular FormulaC13H17BrFN3
Molecular Weight314.20 g/mol
Exact Mass313.06
IUPAC Name6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
SMILESCCCCC(C)n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C13H17BrFN3/c1-3-4-5-8(2)18-12-6-9(14)10(15)7-11(12)17-13(18)16/h6-8H,3-5H2,1-2H3,(H2,16,17)
InChIKeyGNESMNDZKNMMGM-UHFFFAOYSA-N
XLogP4.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 66086898
6-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 62377363
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine
CID 66087095
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
2-amino-3-hexan-2-ylbenzimidazole-5-carbonitrile
CID 104714994
6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
CID 116738302
5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 63924917
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide
CID 116738488
6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 116738133
6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine
CID 116738194
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine (CID 116738290) is 6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine is CCCCC(C)n1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine?
The InChIKey is GNESMNDZKNMMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN3/c1-3-4-5-8(2)18-12-6-9(14)10(15)7-11(12)17-13(18)16/h6-8H,3-5H2,1-2H3,(H2,16,17).
What are the key properties of 6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine?
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine has a molecular weight of 314.20 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 116738290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).