6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole

C15H12BrFN2O — CID 90415326

IUPAC6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole
SMILESCOc1cc2ncn(Cc3cccc(F)c3)c2cc1Br
InChIInChI=1S/C15H12BrFN2O/c1-20-15-7-13-14(6-12(15)16)19(9-18-13)8-10-3-2-4-11(17)5-10/h2-7,9H,8H2,1H3
InChIKeyFRYJYIXHUHFIPQ-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.99
Rot. Bonds3

About 6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole

6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole (PubChem CID 90415326) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is 6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole.

Molecular Properties

Compound Name6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole
PubChem CID90415326
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole
SMILESCOc1cc2ncn(Cc3cccc(F)c3)c2cc1Br
InChIInChI=1S/C15H12BrFN2O/c1-20-15-7-13-14(6-12(15)16)19(9-18-13)8-10-3-2-4-11(17)5-10/h2-7,9H,8H2,1H3
InChIKeyFRYJYIXHUHFIPQ-UHFFFAOYSA-N
XLogP3.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole?
The IUPAC name of 6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole (CID 90415326) is 6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole.
What is the SMILES notation for 6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole?
The canonical SMILES for 6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole is COc1cc2ncn(Cc3cccc(F)c3)c2cc1Br.
What is the InChIKey of 6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole?
The InChIKey is FRYJYIXHUHFIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c1-20-15-7-13-14(6-12(15)16)19(9-18-13)8-10-3-2-4-11(17)5-10/h2-7,9H,8H2,1H3.
What are the key properties of 6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole?
6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole has a molecular weight of 335.18 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole is sourced from PubChem (CID 90415326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).