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

C18H12F3N5O — CID 53252068

IUPAC1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3ccccn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H12F3N5O/c1-27-16-8-7-15(24-25-16)26-14-6-5-11(18(19,20)21)10-13(14)23-17(26)12-4-2-3-9-22-12/h2-10H,1H3
InChIKeyDDYSXNSAHYQJKP-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.90
Rot. Bonds3

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

1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 53252068) has the molecular formula C18H12F3N5O and a molecular weight of 371.32 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole
PubChem CID53252068
Molecular FormulaC18H12F3N5O
Molecular Weight371.32 g/mol
Exact Mass371.10
IUPAC Name1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3ccccn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H12F3N5O/c1-27-16-8-7-15(24-25-16)26-14-6-5-11(18(19,20)21)10-13(14)23-17(26)12-4-2-3-9-22-12/h2-10H,1H3
InChIKeyDDYSXNSAHYQJKP-UHFFFAOYSA-N
XLogP3.90
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole (CID 53252068) is 1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(-c3ccccn3)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is DDYSXNSAHYQJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O/c1-27-16-8-7-15(24-25-16)26-14-6-5-11(18(19,20)21)10-13(14)23-17(26)12-4-2-3-9-22-12/h2-10H,1H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole?
1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 371.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 53252068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).