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

C18H11F4N5O — CID 70847994

IUPAC2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3ncccc3F)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H11F4N5O/c1-28-15-7-6-14(25-26-15)27-13-5-4-10(18(20,21)22)9-12(13)24-17(27)16-11(19)3-2-8-23-16/h2-9H,1H3
InChIKeyZQKSGRFWQLYQLA-UHFFFAOYSA-N
MW389.31 g/mol
LogP4.04
Rot. Bonds3

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

2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (PubChem CID 70847994) has the molecular formula C18H11F4N5O and a molecular weight of 389.31 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
PubChem CID70847994
Molecular FormulaC18H11F4N5O
Molecular Weight389.31 g/mol
Exact Mass389.09
IUPAC Name2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3ncccc3F)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H11F4N5O/c1-28-15-7-6-14(25-26-15)27-13-5-4-10(18(20,21)22)9-12(13)24-17(27)16-11(19)3-2-8-23-16/h2-9H,1H3
InChIKeyZQKSGRFWQLYQLA-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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Related Compounds

2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine
CID 70938156
2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847942
2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847943
2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole
CID 20811977
1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole
CID 22379935
3-(5-methoxy-2-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 121332377
1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole
CID 53251289
2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine
CID 90122737
1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole
CID 70847916
2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine
CID 130181953
5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole
CID 59841482
3-(3-fluoro-2-pyridinyl)-2-methoxyquinoline
CID 155909889

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (CID 70847994) is 2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(-c3ncccc3F)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is ZQKSGRFWQLYQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5O/c1-28-15-7-6-14(25-26-15)27-13-5-4-10(18(20,21)22)9-12(13)24-17(27)16-11(19)3-2-8-23-16/h2-9H,1H3.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
2-(3-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-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 70847994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).