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

C17H11F3N6O — CID 70847962

IUPAC1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3ncccn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H11F3N6O/c1-27-14-6-5-13(24-25-14)26-12-4-3-10(17(18,19)20)9-11(12)23-16(26)15-21-7-2-8-22-15/h2-9H,1H3
InChIKeySYBBJIIEOZSNCD-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.30
Rot. Bonds3

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

1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 70847962) has the molecular formula C17H11F3N6O and a molecular weight of 372.31 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole
PubChem CID70847962
Molecular FormulaC17H11F3N6O
Molecular Weight372.31 g/mol
Exact Mass372.09
IUPAC Name1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3ncccn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H11F3N6O/c1-27-14-6-5-13(24-25-14)26-12-4-3-10(17(18,19)20)9-11(12)23-16(26)15-21-7-2-8-22-15/h2-9H,1H3
InChIKeySYBBJIIEOZSNCD-UHFFFAOYSA-N
XLogP3.30
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.30
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-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole (CID 70847962) is 1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(-c3ncccn3)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is SYBBJIIEOZSNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O/c1-27-14-6-5-13(24-25-14)26-12-4-3-10(17(18,19)20)9-11(12)23-16(26)15-21-7-2-8-22-15/h2-9H,1H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole?
1-(6-methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 372.31 g/mol, XLogP of 3.30, 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-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 70847962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).