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

C17H13F3N6O2 — CID 53251132

IUPAC1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole
SMILESCOc1ccc(-n2c(-c3cnn(C)c3)nc3cc(OC(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H13F3N6O2/c1-25-9-10(8-21-25)16-22-12-7-11(28-17(18,19)20)3-4-13(12)26(16)14-5-6-15(27-2)24-23-14/h3-9H,1-2H3
InChIKeyROELRQVQGPRFTK-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.12
Rot. Bonds4

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

1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole (PubChem CID 53251132) has the molecular formula C17H13F3N6O2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole
PubChem CID53251132
Molecular FormulaC17H13F3N6O2
Molecular Weight390.33 g/mol
Exact Mass390.11
IUPAC Name1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole
SMILESCOc1ccc(-n2c(-c3cnn(C)c3)nc3cc(OC(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H13F3N6O2/c1-25-9-10(8-21-25)16-22-12-7-11(28-17(18,19)20)3-4-13(12)26(16)14-5-6-15(27-2)24-23-14/h3-9H,1-2H3
InChIKeyROELRQVQGPRFTK-UHFFFAOYSA-N
XLogP3.12
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.12
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-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole (CID 53251132) is 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole is COc1ccc(-n2c(-c3cnn(C)c3)nc3cc(OC(F)(F)F)ccc32)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole?
The InChIKey is ROELRQVQGPRFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2/c1-25-9-10(8-21-25)16-22-12-7-11(28-17(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-(trifluoromethoxy)benzimidazole?
1-(6-methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole has a molecular weight of 390.33 g/mol, XLogP of 3.12, 4 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-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole is sourced from PubChem (CID 53251132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).