3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C15H8ClF7N4O2 — CID 54341924

IUPAC3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3c2nc(C(F)(F)F)n3C)c1=O
InChIInChI=1S/C15H8ClF7N4O2/c1-25-7(14(18,19)20)4-8(28)27(13(25)29)11-6(17)3-5(16)10-9(11)24-12(26(10)2)15(21,22)23/h3-4H,1-2H3
InChIKeyTZOPHJSFOFSQHO-UHFFFAOYSA-N
MW444.69 g/mol
LogP3.25
Rot. Bonds1

About 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 54341924) has the molecular formula C15H8ClF7N4O2 and a molecular weight of 444.69 g/mol. Its IUPAC name is 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID54341924
Molecular FormulaC15H8ClF7N4O2
Molecular Weight444.69 g/mol
Exact Mass444.02
IUPAC Name3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3c2nc(C(F)(F)F)n3C)c1=O
InChIInChI=1S/C15H8ClF7N4O2/c1-25-7(14(18,19)20)4-8(28)27(13(25)29)11-6(17)3-5(16)10-9(11)24-12(26(10)2)15(21,22)23/h3-4H,1-2H3
InChIKeyTZOPHJSFOFSQHO-UHFFFAOYSA-N
XLogP3.25
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.69
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 54341924) is 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3c2nc(C(F)(F)F)n3C)c1=O.
What is the InChIKey of 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is TZOPHJSFOFSQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF7N4O2/c1-25-7(14(18,19)20)4-8(28)27(13(25)29)11-6(17)3-5(16)10-9(11)24-12(26(10)2)15(21,22)23/h3-4H,1-2H3.
What are the key properties of 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 444.69 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 54341924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).