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

C11H12BrFN2 — CID 56971662

IUPAC6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1nc2c(F)cc(Br)cc2n1C(C)C
InChIInChI=1S/C11H12BrFN2/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15/h4-6H,1-3H3
InChIKeySJQZRZLUEGCXFN-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.83
Rot. Bonds1

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

6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole (PubChem CID 56971662) has the molecular formula C11H12BrFN2 and a molecular weight of 271.13 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
PubChem CID56971662
Molecular FormulaC11H12BrFN2
Molecular Weight271.13 g/mol
Exact Mass270.02
IUPAC Name6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1nc2c(F)cc(Br)cc2n1C(C)C
InChIInChI=1S/C11H12BrFN2/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15/h4-6H,1-3H3
InChIKeySJQZRZLUEGCXFN-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.83
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?
The IUPAC name of 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole (CID 56971662) is 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole is Cc1nc2c(F)cc(Br)cc2n1C(C)C.
What is the InChIKey of 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole?
The InChIKey is SJQZRZLUEGCXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15/h4-6H,1-3H3.
What are the key properties of 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole?
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole has a molecular weight of 271.13 g/mol, XLogP of 3.83, 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 is sourced from PubChem (CID 56971662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).