5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride

C11H13BrClFN2 — CID 56737691

IUPAC5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride
SMILESCCCCn1cnc2cc(Br)c(F)cc21.Cl
InChIInChI=1S/C11H12BrFN2.ClH/c1-2-3-4-15-7-14-10-5-8(12)9(13)6-11(10)15;/h5-7H,2-4H2,1H3;1H
InChIKeyXDLMPPUGLHJPHL-UHFFFAOYSA-N
MW307.59 g/mol
LogP4.16
Rot. Bonds3

About 5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride

5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride (PubChem CID 56737691) has the molecular formula C11H13BrClFN2 and a molecular weight of 307.59 g/mol. Its IUPAC name is 5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride.

Molecular Properties

Compound Name5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride
PubChem CID56737691
Molecular FormulaC11H13BrClFN2
Molecular Weight307.59 g/mol
Exact Mass305.99
IUPAC Name5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride
SMILESCCCCn1cnc2cc(Br)c(F)cc21.Cl
InChIInChI=1S/C11H12BrFN2.ClH/c1-2-3-4-15-7-14-10-5-8(12)9(13)6-11(10)15;/h5-7H,2-4H2,1H3;1H
InChIKeyXDLMPPUGLHJPHL-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.59
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride?
The IUPAC name of 5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride (CID 56737691) is 5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride.
What is the SMILES notation for 5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride?
The canonical SMILES for 5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride is CCCCn1cnc2cc(Br)c(F)cc21.Cl.
What is the InChIKey of 5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride?
The InChIKey is XDLMPPUGLHJPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2.ClH/c1-2-3-4-15-7-14-10-5-8(12)9(13)6-11(10)15;/h5-7H,2-4H2,1H3;1H.
What are the key properties of 5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride?
5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride has a molecular weight of 307.59 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride is sourced from PubChem (CID 56737691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).