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

C15H12F2N2 — CID 81463007

IUPAC2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole
SMILESCc1ccc(C)c(-c2nc3c(F)cc(F)cc3[nH]2)c1
InChIInChI=1S/C15H12F2N2/c1-8-3-4-9(2)11(5-8)15-18-13-7-10(16)6-12(17)14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyAPQAZQSJTFVBEN-UHFFFAOYSA-N
MW258.27 g/mol
LogP4.12
Rot. Bonds1

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

2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole (PubChem CID 81463007) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole
PubChem CID81463007
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole
SMILESCc1ccc(C)c(-c2nc3c(F)cc(F)cc3[nH]2)c1
InChIInChI=1S/C15H12F2N2/c1-8-3-4-9(2)11(5-8)15-18-13-7-10(16)6-12(17)14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyAPQAZQSJTFVBEN-UHFFFAOYSA-N
XLogP4.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
CID 81463104
2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463378
3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829918
2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463556
2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463555
2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81455041
4-chloro-2-(2,5-dimethylphenyl)-1H-benzimidazole
CID 64723918
4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
CID 81462567
2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 114560127
6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 104574515
2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463194
2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole
CID 103402869

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole (CID 81463007) is 2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole is Cc1ccc(C)c(-c2nc3c(F)cc(F)cc3[nH]2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole?
The InChIKey is APQAZQSJTFVBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-8-3-4-9(2)11(5-8)15-18-13-7-10(16)6-12(17)14(13)19-15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole?
2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole has a molecular weight of 258.27 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 81463007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).