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

C15H12FN7O — CID 164861595

IUPAC4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(Cn2c(-c3nonc3N)nc3c(F)cccc32)nn1
InChIInChI=1S/C15H12FN7O/c1-8-5-6-9(20-19-8)7-23-11-4-2-3-10(16)12(11)18-15(23)13-14(17)22-24-21-13/h2-6H,7H2,1H3,(H2,17,22)
InChIKeyAVFYHCOIOJEMFX-UHFFFAOYSA-N
MW325.31 g/mol
LogP1.95
Rot. Bonds3

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

4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 164861595) has the molecular formula C15H12FN7O and a molecular weight of 325.31 g/mol. Its IUPAC name is 4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID164861595
Molecular FormulaC15H12FN7O
Molecular Weight325.31 g/mol
Exact Mass325.11
IUPAC Name4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(Cn2c(-c3nonc3N)nc3c(F)cccc32)nn1
InChIInChI=1S/C15H12FN7O/c1-8-5-6-9(20-19-8)7-23-11-4-2-3-10(16)12(11)18-15(23)13-14(17)22-24-21-13/h2-6H,7H2,1H3,(H2,17,22)
InChIKeyAVFYHCOIOJEMFX-UHFFFAOYSA-N
XLogP1.95
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-fluoro-1-(pyrimidin-5-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861581
4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861508
3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
CID 164861582
4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 10149349
4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406056
5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile
CID 164861646
4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole
CID 164861468
4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861697
4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 686448
4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 6968814
3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine
CID 63262129
4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 60788968

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 164861595) is 4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is Cc1ccc(Cn2c(-c3nonc3N)nc3c(F)cccc32)nn1.
What is the InChIKey of 4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is AVFYHCOIOJEMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN7O/c1-8-5-6-9(20-19-8)7-23-11-4-2-3-10(16)12(11)18-15(23)13-14(17)22-24-21-13/h2-6H,7H2,1H3,(H2,17,22).
What are the key properties of 4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 325.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 164861595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).