5-bromo-6-fluoro-2-octyl-1H-benzimidazole

C15H20BrFN2 — CID 79631418

IUPAC5-bromo-6-fluoro-2-octyl-1H-benzimidazole
SMILESCCCCCCCCc1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C15H20BrFN2/c1-2-3-4-5-6-7-8-15-18-13-9-11(16)12(17)10-14(13)19-15/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyXWSSSAQCTSVYKM-UHFFFAOYSA-N
MW327.24 g/mol
LogP5.37
Rot. Bonds7

About 5-bromo-6-fluoro-2-octyl-1H-benzimidazole

5-bromo-6-fluoro-2-octyl-1H-benzimidazole (PubChem CID 79631418) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-octyl-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-octyl-1H-benzimidazole
PubChem CID79631418
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC Name5-bromo-6-fluoro-2-octyl-1H-benzimidazole
SMILESCCCCCCCCc1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C15H20BrFN2/c1-2-3-4-5-6-7-8-15-18-13-9-11(16)12(17)10-14(13)19-15/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyXWSSSAQCTSVYKM-UHFFFAOYSA-N
XLogP5.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.24
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
CID 79631505
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine
CID 79630736
5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
CID 79631603
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336897
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336878
5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole
CID 79631618
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
2-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 81073477
5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
CID 103208877
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-octyl-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-octyl-1H-benzimidazole (CID 79631418) is 5-bromo-6-fluoro-2-octyl-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-octyl-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-octyl-1H-benzimidazole is CCCCCCCCc1nc2cc(Br)c(F)cc2[nH]1.
What is the InChIKey of 5-bromo-6-fluoro-2-octyl-1H-benzimidazole?
The InChIKey is XWSSSAQCTSVYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c1-2-3-4-5-6-7-8-15-18-13-9-11(16)12(17)10-14(13)19-15/h9-10H,2-8H2,1H3,(H,18,19).
What are the key properties of 5-bromo-6-fluoro-2-octyl-1H-benzimidazole?
5-bromo-6-fluoro-2-octyl-1H-benzimidazole has a molecular weight of 327.24 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-octyl-1H-benzimidazole is sourced from PubChem (CID 79631418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).