2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole

C55H41BrF12N18O — CID 158167175

IUPAC2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(Nc2ccc(C(F)(F)F)cc2N)nn1.Cc1ccc(-n2c(-c3cnn(C)c3)nc3cc(C(F)(F)F)ccc32)nn1.Cc1ccc(-n2c(Br)nc3cc(C(F)(F)F)ccc32)nn1.Cc1ccc(-n2cnc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H13F3N6.C13H8BrF3N4.C13H9F3N4.C12H11F3N4O/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;1-7-2-5-11(20-19-7)21-10-4-3-8(13(15,16)17)6-9(10)18-12(21)14;1-8-2-5-12(19-18-8)20-7-17-10-6-9(13(14,15)16)3-4-11(10)20;1-20-11-5-4-10(18-19-11)17-9-3-2-7(6-8(9)16)12(13,14)15/h3-9H,1-2H3;2-6H,1H3;2-7H,1H3;2-6H,16H2,1H3,(H,17,18)
InChIKeyFWZKJGFUTJMFNT-UHFFFAOYSA-N
MW1277.94 g/mol
LogP13.42
Rot. Bonds7

About 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole

2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (PubChem CID 158167175) has the molecular formula C55H41BrF12N18O and a molecular weight of 1277.94 g/mol. Its IUPAC name is 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
PubChem CID158167175
Molecular FormulaC55H41BrF12N18O
Molecular Weight1277.94 g/mol
Exact Mass1276.27
IUPAC Name2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(Nc2ccc(C(F)(F)F)cc2N)nn1.Cc1ccc(-n2c(-c3cnn(C)c3)nc3cc(C(F)(F)F)ccc32)nn1.Cc1ccc(-n2c(Br)nc3cc(C(F)(F)F)ccc32)nn1.Cc1ccc(-n2cnc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H13F3N6.C13H8BrF3N4.C13H9F3N4.C12H11F3N4O/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;1-7-2-5-11(20-19-7)21-10-4-3-8(13(15,16)17)6-9(10)18-12(21)14;1-8-2-5-12(19-18-8)20-7-17-10-6-9(13(14,15)16)3-4-11(10)20;1-20-11-5-4-10(18-19-11)17-9-3-2-7(6-8(9)16)12(13,14)15/h3-9H,1-2H3;2-6H,1H3;2-7H,1H3;2-6H,16H2,1H3,(H,17,18)
InChIKeyFWZKJGFUTJMFNT-UHFFFAOYSA-N
XLogP13.42
TPSA221.68 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001277.94
LogP ≤ 513.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole with MolForge

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Related Compounds

CID 71454728
CID 71454728
1-(6-Methoxypyridazin-3-yl)-2-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)benzimidazole
CID 53250022
2-(5-Ethylpyridin-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 53250172
1-(6-Methoxypyridazin-3-yl)-2-(4-methylpyridin-2-yl)-5-(trifluoromethyl)benzimidazole
CID 53250173
2-(5-Fluoropyridin-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 53250174
1-(6-Methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole
CID 53250329
1-(6-Methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)benzimidazole
CID 53251129
1-(6-Methoxypyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole
CID 53252068
1-(6-Methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazole
CID 53252233
3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]-1-[4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 68455634
1-(6-Methoxypyridazin-3-yl)-2-pyrimidin-2-yl-5-(trifluoromethyl)benzimidazole
CID 70847962
1-(6-Methoxypyridazin-3-yl)-2-pyrazin-2-yl-5-(trifluoromethyl)benzimidazole
CID 70847963

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (CID 158167175) is 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is COc1ccc(Nc2ccc(C(F)(F)F)cc2N)nn1.Cc1ccc(-n2c(-c3cnn(C)c3)nc3cc(C(F)(F)F)ccc32)nn1.Cc1ccc(-n2c(Br)nc3cc(C(F)(F)F)ccc32)nn1.Cc1ccc(-n2cnc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is FWZKJGFUTJMFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6.C13H8BrF3N4.C13H9F3N4.C12H11F3N4O/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;1-7-2-5-11(20-19-7)21-10-4-3-8(13(15,16)17)6-9(10)18-12(21)14;1-8-2-5-12(19-18-8)20-7-17-10-6-9(13(14,15)16)3-4-11(10)20;1-20-11-5-4-10(18-19-11)17-9-3-2-7(6-8(9)16)12(13,14)15/h3-9H,1-2H3;2-6H,1H3;2-7H,1H3;2-6H,16H2,1H3,(H,17,18).
What are the key properties of 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 1277.94 g/mol, XLogP of 13.42, 7 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 158167175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).