2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole

C22H18F2N2 — CID 170293570

IUPAC2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole
SMILESCc1cc(F)cc(F)c1-c1nc2ccccc2n1-c1c(C)cccc1C
InChIInChI=1S/C22H18F2N2/c1-13-7-6-8-14(2)21(13)26-19-10-5-4-9-18(19)25-22(26)20-15(3)11-16(23)12-17(20)24/h4-12H,1-3H3
InChIKeyPTBFKFUWTHKLSM-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.90
Rot. Bonds2

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

2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole (PubChem CID 170293570) has the molecular formula C22H18F2N2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole.

Molecular Properties

Compound Name2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole
PubChem CID170293570
Molecular FormulaC22H18F2N2
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole
SMILESCc1cc(F)cc(F)c1-c1nc2ccccc2n1-c1c(C)cccc1C
InChIInChI=1S/C22H18F2N2/c1-13-7-6-8-14(2)21(13)26-19-10-5-4-9-18(19)25-22(26)20-15(3)11-16(23)12-17(20)24/h4-12H,1-3H3
InChIKeyPTBFKFUWTHKLSM-UHFFFAOYSA-N
XLogP5.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole
CID 170293664
2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)imidazole
CID 163593022
1-(3,5-difluorophenyl)-2-ethylbenzimidazole
CID 155179234
1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole
CID 112676678
2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole
CID 156657519
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
4-(3,5-dimethylbenzene-6-id-1-yl)-8-fluorobenzo[f]isoquinoline;2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]phenol;iridium
CID 171730710
1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluoro-9-phenyldibenzothiophen-4-yl)benzimidazole
CID 170931421
2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
CID 66253533
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
CID 174119654
CID 174119654

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole?
The IUPAC name of 2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole (CID 170293570) is 2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole.
What is the SMILES notation for 2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole?
The canonical SMILES for 2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole is Cc1cc(F)cc(F)c1-c1nc2ccccc2n1-c1c(C)cccc1C.
What is the InChIKey of 2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole?
The InChIKey is PTBFKFUWTHKLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2/c1-13-7-6-8-14(2)21(13)26-19-10-5-4-9-18(19)25-22(26)20-15(3)11-16(23)12-17(20)24/h4-12H,1-3H3.
What are the key properties of 2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole?
2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole has a molecular weight of 348.40 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole is sourced from PubChem (CID 170293570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).