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

C13H8BrF3N4 — CID 70847942

IUPAC2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCc1ccc(-n2c(Br)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C13H8BrF3N4/c1-7-2-5-11(20-19-7)21-10-4-3-8(13(15,16)17)6-9(10)18-12(21)14/h2-6H,1H3
InChIKeyACAMQSXEPMKAEU-UHFFFAOYSA-N
MW357.13 g/mol
LogP3.91
Rot. Bonds1

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

2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (PubChem CID 70847942) has the molecular formula C13H8BrF3N4 and a molecular weight of 357.13 g/mol. Its IUPAC name is 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
PubChem CID70847942
Molecular FormulaC13H8BrF3N4
Molecular Weight357.13 g/mol
Exact Mass355.99
IUPAC Name2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCc1ccc(-n2c(Br)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C13H8BrF3N4/c1-7-2-5-11(20-19-7)21-10-4-3-8(13(15,16)17)6-9(10)18-12(21)14/h2-6H,1H3
InChIKeyACAMQSXEPMKAEU-UHFFFAOYSA-N
XLogP3.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847943
2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine
CID 70938156
2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847994
5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 43661954
2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine
CID 62506357
1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502131
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501988
2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole
CID 142765912
1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
CID 134095240
1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 18522078

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (CID 70847942) is 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is Cc1ccc(-n2c(Br)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is ACAMQSXEPMKAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N4/c1-7-2-5-11(20-19-7)21-10-4-3-8(13(15,16)17)6-9(10)18-12(21)14/h2-6H,1H3.
What are the key properties of 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 357.13 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 70847942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).