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

C16H14F2N2 — CID 115911920

IUPAC4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
SMILESCc1cc(C)c(-c2nc3c(F)c(F)ccc3[nH]2)c(C)c1
InChIInChI=1S/C16H14F2N2/c1-8-6-9(2)13(10(3)7-8)16-19-12-5-4-11(17)14(18)15(12)20-16/h4-7H,1-3H3,(H,19,20)
InChIKeyGSDCAJZORSIITD-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.43
Rot. Bonds1

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

4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole (PubChem CID 115911920) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
PubChem CID115911920
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
SMILESCc1cc(C)c(-c2nc3c(F)c(F)ccc3[nH]2)c(C)c1
InChIInChI=1S/C16H14F2N2/c1-8-6-9(2)13(10(3)7-8)16-19-12-5-4-11(17)14(18)15(12)20-16/h4-7H,1-3H3,(H,19,20)
InChIKeyGSDCAJZORSIITD-UHFFFAOYSA-N
XLogP4.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 64723101
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475
2-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556617
2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol
CID 136926473
2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720674
2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114560132
5-bromo-6-fluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 79631045
2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole
CID 115911936
2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911939
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911966
2-chloro-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537
2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole
CID 112556664

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole?
The IUPAC name of 4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole (CID 115911920) is 4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole.
What is the SMILES notation for 4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole?
The canonical SMILES for 4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole is Cc1cc(C)c(-c2nc3c(F)c(F)ccc3[nH]2)c(C)c1.
What is the InChIKey of 4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole?
The InChIKey is GSDCAJZORSIITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2/c1-8-6-9(2)13(10(3)7-8)16-19-12-5-4-11(17)14(18)15(12)20-16/h4-7H,1-3H3,(H,19,20).
What are the key properties of 4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole?
4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole has a molecular weight of 272.30 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole is sourced from PubChem (CID 115911920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).