1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole

C20H15F3N4O2 — CID 24768653

IUPAC1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole
SMILESCOc1ncc(-c2cccc(-n3cnc4cc(C(F)(F)F)ccc43)c2)c(OC)n1
InChIInChI=1S/C20H15F3N4O2/c1-28-18-15(10-24-19(26-18)29-2)12-4-3-5-14(8-12)27-11-25-16-9-13(20(21,22)23)6-7-17(16)27/h3-11H,1-2H3
InChIKeyUNOFWSQFOTURRU-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.52
Rot. Bonds4

About 1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole

1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole (PubChem CID 24768653) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole
PubChem CID24768653
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole
SMILESCOc1ncc(-c2cccc(-n3cnc4cc(C(F)(F)F)ccc43)c2)c(OC)n1
InChIInChI=1S/C20H15F3N4O2/c1-28-18-15(10-24-19(26-18)29-2)12-4-3-5-14(8-12)27-11-25-16-9-13(20(21,22)23)6-7-17(16)27/h3-11H,1-2H3
InChIKeyUNOFWSQFOTURRU-UHFFFAOYSA-N
XLogP4.52
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethyl]formamide
CID 87571267
2-[1-[3-(2-bromo-5-methoxy-4-pyridinyl)phenyl]benzimidazol-5-yl]propan-2-ol
CID 87288180
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 18957886
2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
CID 76538776
N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide
CID 54189949
1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone
CID 67152246
1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 24768673
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
CID 67430473
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(3-methoxyphenyl)methanone
CID 67428511
1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 16661482
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
CID 67429660
(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096152

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole (CID 24768653) is 1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole is COc1ncc(-c2cccc(-n3cnc4cc(C(F)(F)F)ccc43)c2)c(OC)n1.
What is the InChIKey of 1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole?
The InChIKey is UNOFWSQFOTURRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-28-18-15(10-24-19(26-18)29-2)12-4-3-5-14(8-12)27-11-25-16-9-13(20(21,22)23)6-7-17(16)27/h3-11H,1-2H3.
What are the key properties of 1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole?
1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole has a molecular weight of 400.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 24768653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).