4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole

C15H12F2N2O — CID 81463104

IUPAC4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
SMILESCOc1ccc(C)cc1-c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C15H12F2N2O/c1-8-3-4-13(20-2)10(5-8)15-18-12-7-9(16)6-11(17)14(12)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyUOHVSTSDFCHEMU-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.83
Rot. Bonds2

About 4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole

4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole (PubChem CID 81463104) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
PubChem CID81463104
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
SMILESCOc1ccc(C)cc1-c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C15H12F2N2O/c1-8-3-4-13(20-2)10(5-8)15-18-12-7-9(16)6-11(17)14(12)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyUOHVSTSDFCHEMU-UHFFFAOYSA-N
XLogP3.83
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole 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 4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole (CID 81463104) is 4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole is COc1ccc(C)cc1-c1nc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole?
The InChIKey is UOHVSTSDFCHEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-8-3-4-13(20-2)10(5-8)15-18-12-7-9(16)6-11(17)14(12)19-15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole?
4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole has a molecular weight of 274.27 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole is sourced from PubChem (CID 81463104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).