6-bromo-5-fluoro-1-octylbenzimidazol-2-amine

C15H21BrFN3 — CID 116738456

IUPAC6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
SMILESCCCCCCCCn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H21BrFN3/c1-2-3-4-5-6-7-8-20-14-9-11(16)12(17)10-13(14)19-15(20)18/h9-10H,2-8H2,1H3,(H2,18,19)
InChIKeyDDFSODJPBVBXQY-UHFFFAOYSA-N
MW342.26 g/mol
LogP4.88
Rot. Bonds7

About 6-bromo-5-fluoro-1-octylbenzimidazol-2-amine

6-bromo-5-fluoro-1-octylbenzimidazol-2-amine (PubChem CID 116738456) has the molecular formula C15H21BrFN3 and a molecular weight of 342.26 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-octylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
PubChem CID116738456
Molecular FormulaC15H21BrFN3
Molecular Weight342.26 g/mol
Exact Mass341.09
IUPAC Name6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
SMILESCCCCCCCCn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H21BrFN3/c1-2-3-4-5-6-7-8-20-14-9-11(16)12(17)10-13(14)19-15(20)18/h9-10H,2-8H2,1H3,(H2,18,19)
InChIKeyDDFSODJPBVBXQY-UHFFFAOYSA-N
XLogP4.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
6-bromo-5-fluoro-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 116738528
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine
CID 116738307
1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 116738268
ethyl 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)butanoate
CID 66088450
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
CID 103462895
6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 116738236
6-bromo-1-[(1-ethylcyclopropyl)methyl]-5-fluorobenzimidazol-2-amine
CID 114101078

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-octylbenzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-octylbenzimidazol-2-amine (CID 116738456) is 6-bromo-5-fluoro-1-octylbenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-octylbenzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-octylbenzimidazol-2-amine is CCCCCCCCn1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-5-fluoro-1-octylbenzimidazol-2-amine?
The InChIKey is DDFSODJPBVBXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN3/c1-2-3-4-5-6-7-8-20-14-9-11(16)12(17)10-13(14)19-15(20)18/h9-10H,2-8H2,1H3,(H2,18,19).
What are the key properties of 6-bromo-5-fluoro-1-octylbenzimidazol-2-amine?
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine has a molecular weight of 342.26 g/mol, XLogP of 4.88, 7 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-octylbenzimidazol-2-amine is sourced from PubChem (CID 116738456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).