2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole

C16H15F2N3 — CID 123758721

IUPAC2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole
SMILESCCc1cncc(-c2nc3cc(F)cc(F)c3n2C)c1C
InChIInChI=1S/C16H15F2N3/c1-4-10-7-19-8-12(9(10)2)16-20-14-6-11(17)5-13(18)15(14)21(16)3/h5-8H,4H2,1-3H3
InChIKeyWYBMAVAQEYXHTK-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.78
Rot. Bonds2

About 2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole

2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole (PubChem CID 123758721) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole
PubChem CID123758721
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole
SMILESCCc1cncc(-c2nc3cc(F)cc(F)c3n2C)c1C
InChIInChI=1S/C16H15F2N3/c1-4-10-7-19-8-12(9(10)2)16-20-14-6-11(17)5-13(18)15(14)21(16)3/h5-8H,4H2,1-3H3
InChIKeyWYBMAVAQEYXHTK-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole?
The IUPAC name of 2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole (CID 123758721) is 2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole.
What is the SMILES notation for 2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole?
The canonical SMILES for 2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole is CCc1cncc(-c2nc3cc(F)cc(F)c3n2C)c1C.
What is the InChIKey of 2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole?
The InChIKey is WYBMAVAQEYXHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-4-10-7-19-8-12(9(10)2)16-20-14-6-11(17)5-13(18)15(14)21(16)3/h5-8H,4H2,1-3H3.
What are the key properties of 2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole?
2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole has a molecular weight of 287.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole is sourced from PubChem (CID 123758721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).