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

N-[4-[1-methyl-2-[3-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568471
N-[4-[1-methyl-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568562
pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate
CID 2807425
6-(1H-imidazol-1-yl)-N-(3-methoxyphenyl)-3-pyridazinamine
CID 2982509
5-fluoro-2-(pyridin-2-yl)-1-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)-1H-benzo[d]imidazole
CID 11560724
1-(4-(3-((2R,5R)-2,5-dimethylpyrrolidin-1-yl)propoxy)phenyl)-5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11711947
Ethyl-(1-ethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine
CID 13385738
7-Methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylamine
CID 13385807
6-Fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline
CID 42630188
3-Iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine
CID 44424146
6-Fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 46198694
8-(Difluoromethoxy)-6-fluoro-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline
CID 49821304

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).