1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole

C20H11ClF6N4 — CID 158157758

IUPAC1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole
SMILESCc1cc(-c2ccc(-n3cnc4cc(C(F)(F)F)cc(C(F)(F)F)c43)cc2)nnc1Cl
InChIInChI=1S/C20H11ClF6N4/c1-10-6-15(29-30-18(10)21)11-2-4-13(5-3-11)31-9-28-16-8-12(19(22,23)24)7-14(17(16)31)20(25,26)27/h2-9H,1H3
InChIKeyFVWYSNRHCDGVEC-UHFFFAOYSA-N
MW456.78 g/mol
LogP6.48
Rot. Bonds2

About 1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole

1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole (PubChem CID 158157758) has the molecular formula C20H11ClF6N4 and a molecular weight of 456.78 g/mol. Its IUPAC name is 1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole
PubChem CID158157758
Molecular FormulaC20H11ClF6N4
Molecular Weight456.78 g/mol
Exact Mass456.06
IUPAC Name1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole
SMILESCc1cc(-c2ccc(-n3cnc4cc(C(F)(F)F)cc(C(F)(F)F)c43)cc2)nnc1Cl
InChIInChI=1S/C20H11ClF6N4/c1-10-6-15(29-30-18(10)21)11-2-4-13(5-3-11)31-9-28-16-8-12(19(22,23)24)7-14(17(16)31)20(25,26)27/h2-9H,1H3
InChIKeyFVWYSNRHCDGVEC-UHFFFAOYSA-N
XLogP6.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.78
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-6-(3-methylphenyl)pyridazine
CID 14450223
3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one
CID 141291009
3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine
CID 142779110
3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline
CID 11462328
7-iodo-1-phenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-7-pyridin-3-yl-5-(trifluoromethyl)benzimidazole
CID 159280490
7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
CID 11338440
1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazole
CID 58978587
4-(4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 141415330
(Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide
CID 11383636
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083
2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
CID 70985275
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole (CID 158157758) is 1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole is Cc1cc(-c2ccc(-n3cnc4cc(C(F)(F)F)cc(C(F)(F)F)c43)cc2)nnc1Cl.
What is the InChIKey of 1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole?
The InChIKey is FVWYSNRHCDGVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF6N4/c1-10-6-15(29-30-18(10)21)11-2-4-13(5-3-11)31-9-28-16-8-12(19(22,23)24)7-14(17(16)31)20(25,26)27/h2-9H,1H3.
What are the key properties of 1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole?
1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole has a molecular weight of 456.78 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole is sourced from PubChem (CID 158157758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).