4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C15H12FN7O2 — CID 164861508

IUPAC4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(Cn2c(-c3nonc3N)nc3cccc(F)c32)nn1
InChIInChI=1S/C15H12FN7O2/c1-24-11-6-5-8(19-20-11)7-23-13-9(16)3-2-4-10(13)18-15(23)12-14(17)22-25-21-12/h2-6H,7H2,1H3,(H2,17,22)
InChIKeyLUJKXEWZVDZXRU-UHFFFAOYSA-N
MW341.31 g/mol
LogP1.65
Rot. Bonds4

About 4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 164861508) has the molecular formula C15H12FN7O2 and a molecular weight of 341.31 g/mol. Its IUPAC name is 4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID164861508
Molecular FormulaC15H12FN7O2
Molecular Weight341.31 g/mol
Exact Mass341.10
IUPAC Name4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(Cn2c(-c3nonc3N)nc3cccc(F)c32)nn1
InChIInChI=1S/C15H12FN7O2/c1-24-11-6-5-8(19-20-11)7-23-13-9(16)3-2-4-10(13)18-15(23)12-14(17)22-25-21-12/h2-6H,7H2,1H3,(H2,17,22)
InChIKeyLUJKXEWZVDZXRU-UHFFFAOYSA-N
XLogP1.65
TPSA117.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine with MolForge

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Related Compounds

5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile
CID 164861646
4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861595
4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
CID 164861531
4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 686448
3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
CID 164861514
4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 72806687
4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11462778
4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 11280377
4-[4-fluoro-1-(pyrimidin-5-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861581
N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane
CID 173038968
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 53216173
3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372862

Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 164861508) is 4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is COc1ccc(Cn2c(-c3nonc3N)nc3cccc(F)c32)nn1.
What is the InChIKey of 4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is LUJKXEWZVDZXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN7O2/c1-24-11-6-5-8(19-20-11)7-23-13-9(16)3-2-4-10(13)18-15(23)12-14(17)22-25-21-12/h2-6H,7H2,1H3,(H2,17,22).
What are the key properties of 4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 341.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 164861508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).