2-bromo-1-cyclobutyl-4-fluorobenzimidazole

C11H10BrFN2 — CID 84808519

IUPAC2-bromo-1-cyclobutyl-4-fluorobenzimidazole
SMILESFc1cccc2c1nc(Br)n2C1CCC1
InChIInChI=1S/C11H10BrFN2/c12-11-14-10-8(13)5-2-6-9(10)15(11)7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKeyYVCABDSDKAMLER-UHFFFAOYSA-N
MW269.12 g/mol
LogP3.66
Rot. Bonds1

About 2-bromo-1-cyclobutyl-4-fluorobenzimidazole

2-bromo-1-cyclobutyl-4-fluorobenzimidazole (PubChem CID 84808519) has the molecular formula C11H10BrFN2 and a molecular weight of 269.12 g/mol. Its IUPAC name is 2-bromo-1-cyclobutyl-4-fluorobenzimidazole.

Molecular Properties

Compound Name2-bromo-1-cyclobutyl-4-fluorobenzimidazole
PubChem CID84808519
Molecular FormulaC11H10BrFN2
Molecular Weight269.12 g/mol
Exact Mass268.00
IUPAC Name2-bromo-1-cyclobutyl-4-fluorobenzimidazole
SMILESFc1cccc2c1nc(Br)n2C1CCC1
InChIInChI=1S/C11H10BrFN2/c12-11-14-10-8(13)5-2-6-9(10)15(11)7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKeyYVCABDSDKAMLER-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclobutyl-4-fluorobenzimidazole?
The IUPAC name of 2-bromo-1-cyclobutyl-4-fluorobenzimidazole (CID 84808519) is 2-bromo-1-cyclobutyl-4-fluorobenzimidazole.
What is the SMILES notation for 2-bromo-1-cyclobutyl-4-fluorobenzimidazole?
The canonical SMILES for 2-bromo-1-cyclobutyl-4-fluorobenzimidazole is Fc1cccc2c1nc(Br)n2C1CCC1.
What is the InChIKey of 2-bromo-1-cyclobutyl-4-fluorobenzimidazole?
The InChIKey is YVCABDSDKAMLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2/c12-11-14-10-8(13)5-2-6-9(10)15(11)7-3-1-4-7/h2,5-7H,1,3-4H2.
What are the key properties of 2-bromo-1-cyclobutyl-4-fluorobenzimidazole?
2-bromo-1-cyclobutyl-4-fluorobenzimidazole has a molecular weight of 269.12 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclobutyl-4-fluorobenzimidazole is sourced from PubChem (CID 84808519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).