2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole

C17H13F3N6 — CID 70847943

IUPAC2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCc1ccc(-n2c(-c3cnn(C)c3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H13F3N6/c1-10-3-6-15(24-23-10)26-14-5-4-12(17(18,19)20)7-13(14)22-16(26)11-8-21-25(2)9-11/h3-9H,1-2H3
InChIKeyOJODTWRSHFXTMP-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.54
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole

2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (PubChem CID 70847943) has the molecular formula C17H13F3N6 and a molecular weight of 358.33 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
PubChem CID70847943
Molecular FormulaC17H13F3N6
Molecular Weight358.33 g/mol
Exact Mass358.12
IUPAC Name2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCc1ccc(-n2c(-c3cnn(C)c3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H13F3N6/c1-10-3-6-15(24-23-10)26-14-5-4-12(17(18,19)20)7-13(14)22-16(26)11-8-21-25(2)9-11/h3-9H,1-2H3
InChIKeyOJODTWRSHFXTMP-UHFFFAOYSA-N
XLogP3.54
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (CID 70847943) is 2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is Cc1ccc(-n2c(-c3cnn(C)c3)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is OJODTWRSHFXTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6/c1-10-3-6-15(24-23-10)26-14-5-4-12(17(18,19)20)7-13(14)22-16(26)11-8-21-25(2)9-11/h3-9H,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 358.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 70847943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).