5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole

C14H12BrFN4 — CID 104671016

IUPAC5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole
SMILESCCc1nnc(C)cc1-c1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C14H12BrFN4/c1-3-11-8(4-7(2)19-20-11)14-17-12-5-9(15)10(16)6-13(12)18-14/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyGHACWKUHUVDDIY-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.79
Rot. Bonds2

About 5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole

5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole (PubChem CID 104671016) has the molecular formula C14H12BrFN4 and a molecular weight of 335.18 g/mol. Its IUPAC name is 5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole
PubChem CID104671016
Molecular FormulaC14H12BrFN4
Molecular Weight335.18 g/mol
Exact Mass334.02
IUPAC Name5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole
SMILESCCc1nnc(C)cc1-c1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C14H12BrFN4/c1-3-11-8(4-7(2)19-20-11)14-17-12-5-9(15)10(16)6-13(12)18-14/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyGHACWKUHUVDDIY-UHFFFAOYSA-N
XLogP3.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole (CID 104671016) is 5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole is CCc1nnc(C)cc1-c1nc2cc(Br)c(F)cc2[nH]1.
What is the InChIKey of 5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole?
The InChIKey is GHACWKUHUVDDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4/c1-3-11-8(4-7(2)19-20-11)14-17-12-5-9(15)10(16)6-13(12)18-14/h4-6H,3H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole has a molecular weight of 335.18 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 104671016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).