1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole

C18H12F3N5O — CID 70847916

IUPAC1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole
SMILESCc1ccc(-n2c(-c3ccccn3)nc3cc(OC(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H12F3N5O/c1-11-5-8-16(25-24-11)26-15-7-6-12(27-18(19,20)21)10-14(15)23-17(26)13-4-2-3-9-22-13/h2-10H,1H3
InChIKeyOKLOXMJABPPIDV-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.08
Rot. Bonds3

About 1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole

1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole (PubChem CID 70847916) has the molecular formula C18H12F3N5O and a molecular weight of 371.32 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole
PubChem CID70847916
Molecular FormulaC18H12F3N5O
Molecular Weight371.32 g/mol
Exact Mass371.10
IUPAC Name1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole
SMILESCc1ccc(-n2c(-c3ccccn3)nc3cc(OC(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H12F3N5O/c1-11-5-8-16(25-24-11)26-15-7-6-12(27-18(19,20)21)10-14(15)23-17(26)13-4-2-3-9-22-13/h2-10H,1H3
InChIKeyOKLOXMJABPPIDV-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole (CID 70847916) is 1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole is Cc1ccc(-n2c(-c3ccccn3)nc3cc(OC(F)(F)F)ccc32)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole?
The InChIKey is OKLOXMJABPPIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O/c1-11-5-8-16(25-24-11)26-15-7-6-12(27-18(19,20)21)10-14(15)23-17(26)13-4-2-3-9-22-13/h2-10H,1H3.
What are the key properties of 1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole?
1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole has a molecular weight of 371.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole is sourced from PubChem (CID 70847916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).