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

C18H11F4N5O — CID 53250174

IUPAC2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3ccc(F)cn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H11F4N5O/c1-28-16-7-6-15(25-26-16)27-14-5-2-10(18(20,21)22)8-13(14)24-17(27)12-4-3-11(19)9-23-12/h2-9H,1H3
InChIKeyJPIBKVOYMXXEKR-UHFFFAOYSA-N
MW389.31 g/mol
LogP4.04
Rot. Bonds3

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

2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (PubChem CID 53250174) has the molecular formula C18H11F4N5O and a molecular weight of 389.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
PubChem CID53250174
Molecular FormulaC18H11F4N5O
Molecular Weight389.31 g/mol
Exact Mass389.09
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3ccc(F)cn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H11F4N5O/c1-28-16-7-6-15(25-26-16)27-14-5-2-10(18(20,21)22)8-13(14)24-17(27)12-4-3-11(19)9-23-12/h2-9H,1H3
InChIKeyJPIBKVOYMXXEKR-UHFFFAOYSA-N
XLogP4.04
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (CID 53250174) is 2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(-c3ccc(F)cn3)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is JPIBKVOYMXXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5O/c1-28-16-7-6-15(25-26-16)27-14-5-2-10(18(20,21)22)8-13(14)24-17(27)12-4-3-11(19)9-23-12/h2-9H,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 389.31 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 53250174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).