5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole

C9H8BrFN2O — CID 79631603

IUPAC5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
SMILESCOCc1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C9H8BrFN2O/c1-14-4-9-12-7-2-5(10)6(11)3-8(7)13-9/h2-3H,4H2,1H3,(H,12,13)
InChIKeyREIRSJGUTNXSIF-UHFFFAOYSA-N
MW259.08 g/mol
LogP2.61
Rot. Bonds2

About 5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole

5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole (PubChem CID 79631603) has the molecular formula C9H8BrFN2O and a molecular weight of 259.08 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
PubChem CID79631603
Molecular FormulaC9H8BrFN2O
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC Name5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
SMILESCOCc1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C9H8BrFN2O/c1-14-4-9-12-7-2-5(10)6(11)3-8(7)13-9/h2-3H,4H2,1H3,(H,12,13)
InChIKeyREIRSJGUTNXSIF-UHFFFAOYSA-N
XLogP2.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole (CID 79631603) is 5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole is COCc1nc2cc(Br)c(F)cc2[nH]1.
What is the InChIKey of 5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole?
The InChIKey is REIRSJGUTNXSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O/c1-14-4-9-12-7-2-5(10)6(11)3-8(7)13-9/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole?
5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole has a molecular weight of 259.08 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole is sourced from PubChem (CID 79631603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).