1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole

C16H12F3N7O2 — CID 53251289

IUPAC1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole
SMILESCOc1ccc(-n2c(-c3cn(C)nn3)nc3cc(OC(F)(F)F)ccc32)nn1
InChIInChI=1S/C16H12F3N7O2/c1-25-8-11(21-24-25)15-20-10-7-9(28-16(17,18)19)3-4-12(10)26(15)13-5-6-14(27-2)23-22-13/h3-8H,1-2H3
InChIKeyCAUXPFXQXXTLHW-UHFFFAOYSA-N
MW391.31 g/mol
LogP2.52
Rot. Bonds4

About 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole

1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole (PubChem CID 53251289) has the molecular formula C16H12F3N7O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole
PubChem CID53251289
Molecular FormulaC16H12F3N7O2
Molecular Weight391.31 g/mol
Exact Mass391.10
IUPAC Name1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole
SMILESCOc1ccc(-n2c(-c3cn(C)nn3)nc3cc(OC(F)(F)F)ccc32)nn1
InChIInChI=1S/C16H12F3N7O2/c1-25-8-11(21-24-25)15-20-10-7-9(28-16(17,18)19)3-4-12(10)26(15)13-5-6-14(27-2)23-22-13/h3-8H,1-2H3
InChIKeyCAUXPFXQXXTLHW-UHFFFAOYSA-N
XLogP2.52
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole
CID 70847916
2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine
CID 70938156
2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847994
1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole
CID 154743164
1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine
CID 69449777
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine
CID 143015150
2-bromo-6-(trifluoromethoxy)indazole
CID 150469832
2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 166351219
1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane
CID 143549911
[1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol
CID 122424190
1-methyl-2-[[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid
CID 155083643

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole (CID 53251289) is 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole is COc1ccc(-n2c(-c3cn(C)nn3)nc3cc(OC(F)(F)F)ccc32)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole?
The InChIKey is CAUXPFXQXXTLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N7O2/c1-25-8-11(21-24-25)15-20-10-7-9(28-16(17,18)19)3-4-12(10)26(15)13-5-6-14(27-2)23-22-13/h3-8H,1-2H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole?
1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole has a molecular weight of 391.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole is sourced from PubChem (CID 53251289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).