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

C17H13F3N6O — CID 53252233

IUPAC1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3cnn(C)c3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H13F3N6O/c1-25-9-10(8-21-25)16-22-12-7-11(17(18,19)20)3-4-13(12)26(16)14-5-6-15(27-2)24-23-14/h3-9H,1-2H3
InChIKeyOEVFQNMGGJITTG-UHFFFAOYSA-N
MW374.33 g/mol
LogP3.24
Rot. Bonds3

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

1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole (PubChem CID 53252233) has the molecular formula C17H13F3N6O and a molecular weight of 374.33 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole
PubChem CID53252233
Molecular FormulaC17H13F3N6O
Molecular Weight374.33 g/mol
Exact Mass374.11
IUPAC Name1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3cnn(C)c3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H13F3N6O/c1-25-9-10(8-21-25)16-22-12-7-11(17(18,19)20)3-4-13(12)26(16)14-5-6-15(27-2)24-23-14/h3-9H,1-2H3
InChIKeyOEVFQNMGGJITTG-UHFFFAOYSA-N
XLogP3.24
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole (CID 53252233) is 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(-c3cnn(C)c3)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is OEVFQNMGGJITTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O/c1-25-9-10(8-21-25)16-22-12-7-11(17(18,19)20)3-4-13(12)26(16)14-5-6-15(27-2)24-23-14/h3-9H,1-2H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole?
1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 374.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 53252233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).