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

C15H12Cl2N2 — CID 78912050

IUPAC5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)c1
InChIInChI=1S/C15H12Cl2N2/c1-8-3-4-10(9(2)5-8)15-18-13-6-11(16)12(17)7-14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyGPAFSNOLBQGYDT-UHFFFAOYSA-N
MW291.18 g/mol
LogP5.15
Rot. Bonds1

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

5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole (PubChem CID 78912050) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
PubChem CID78912050
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)c1
InChIInChI=1S/C15H12Cl2N2/c1-8-3-4-10(9(2)5-8)15-18-13-6-11(16)12(17)7-14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyGPAFSNOLBQGYDT-UHFFFAOYSA-N
XLogP5.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
2-(4-fluoro-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 112688356
5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
CID 78912108
5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939532
4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol
CID 136751628
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole
CID 82003787
4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 95909583
2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 63399315
2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 43470869

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole (CID 78912050) is 5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole is Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)c1.
What is the InChIKey of 5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole?
The InChIKey is GPAFSNOLBQGYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-8-3-4-10(9(2)5-8)15-18-13-6-11(16)12(17)7-14(13)19-15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole?
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole has a molecular weight of 291.18 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole is sourced from PubChem (CID 78912050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).