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

C16H12F3N7O — CID 53251129

IUPAC1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3cn(C)nn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C16H12F3N7O/c1-25-8-11(21-24-25)15-20-10-7-9(16(17,18)19)3-4-12(10)26(15)13-5-6-14(27-2)23-22-13/h3-8H,1-2H3
InChIKeyJKCBENZFFQNTTK-UHFFFAOYSA-N
MW375.31 g/mol
LogP2.64
Rot. Bonds3

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

1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole (PubChem CID 53251129) has the molecular formula C16H12F3N7O and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole
PubChem CID53251129
Molecular FormulaC16H12F3N7O
Molecular Weight375.31 g/mol
Exact Mass375.11
IUPAC Name1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3cn(C)nn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C16H12F3N7O/c1-25-8-11(21-24-25)15-20-10-7-9(16(17,18)19)3-4-12(10)26(15)13-5-6-14(27-2)23-22-13/h3-8H,1-2H3
InChIKeyJKCBENZFFQNTTK-UHFFFAOYSA-N
XLogP2.64
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole (CID 53251129) is 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(-c3cn(C)nn3)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is JKCBENZFFQNTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N7O/c1-25-8-11(21-24-25)15-20-10-7-9(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-(trifluoromethyl)benzimidazole?
1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 375.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 53251129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).