2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole

C20H16F4N4 — CID 154440587

IUPAC2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole
SMILESCCc1nc2ccc(F)cc2n1C1N=CC=CN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F4N4/c1-2-18-26-16-9-6-14(21)12-17(16)28(18)19-25-10-3-11-27(19)15-7-4-13(5-8-15)20(22,23)24/h3-12,19H,2H2,1H3
InChIKeyNIAQOZOFWRWGLZ-UHFFFAOYSA-N
MW388.37 g/mol
LogP5.32
Rot. Bonds3

About 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole

2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole (PubChem CID 154440587) has the molecular formula C20H16F4N4 and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole
PubChem CID154440587
Molecular FormulaC20H16F4N4
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC Name2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole
SMILESCCc1nc2ccc(F)cc2n1C1N=CC=CN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F4N4/c1-2-18-26-16-9-6-14(21)12-17(16)28(18)19-25-10-3-11-27(19)15-7-4-13(5-8-15)20(22,23)24/h3-12,19H,2H2,1H3
InChIKeyNIAQOZOFWRWGLZ-UHFFFAOYSA-N
XLogP5.32
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.37
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]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

1-[1-[4-(difluoromethoxy)phenyl]-2H-pyrimidin-2-yl]-6-fluoro-2-methylbenzimidazole
CID 154234917
6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095108
5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 118102100
6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole
CID 154320046
2-(chloromethyl)-1-(3,4-dimethylcyclohexyl)-6-fluorobenzimidazole
CID 64743874
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole
CID 64732903
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole
CID 164670438
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79873001
6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole
CID 164670426
6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 118095453

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole?
The IUPAC name of 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole (CID 154440587) is 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole.
What is the SMILES notation for 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole?
The canonical SMILES for 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole is CCc1nc2ccc(F)cc2n1C1N=CC=CN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole?
The InChIKey is NIAQOZOFWRWGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4/c1-2-18-26-16-9-6-14(21)12-17(16)28(18)19-25-10-3-11-27(19)15-7-4-13(5-8-15)20(22,23)24/h3-12,19H,2H2,1H3.
What are the key properties of 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole?
2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole has a molecular weight of 388.37 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]benzimidazole is sourced from PubChem (CID 154440587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).