6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride

C11H13BrClFN2 — CID 177312133

IUPAC6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride
SMILESCc1nc2c(F)cc(Br)cc2n1C(C)C.Cl
InChIInChI=1S/C11H12BrFN2.ClH/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15;/h4-6H,1-3H3;1H
InChIKeyPKPMZUIFKVFLFV-UHFFFAOYSA-N
MW307.59 g/mol
LogP4.25
Rot. Bonds1

About 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride

6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride (PubChem CID 177312133) has the molecular formula C11H13BrClFN2 and a molecular weight of 307.59 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride
PubChem CID177312133
Molecular FormulaC11H13BrClFN2
Molecular Weight307.59 g/mol
Exact Mass305.99
IUPAC Name6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride
SMILESCc1nc2c(F)cc(Br)cc2n1C(C)C.Cl
InChIInChI=1S/C11H12BrFN2.ClH/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15;/h4-6H,1-3H3;1H
InChIKeyPKPMZUIFKVFLFV-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.59
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride?
The IUPAC name of 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride (CID 177312133) is 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride.
What is the SMILES notation for 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride?
The canonical SMILES for 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride is Cc1nc2c(F)cc(Br)cc2n1C(C)C.Cl.
What is the InChIKey of 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride?
The InChIKey is PKPMZUIFKVFLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2.ClH/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15;/h4-6H,1-3H3;1H.
What are the key properties of 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride?
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride has a molecular weight of 307.59 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride is sourced from PubChem (CID 177312133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).