4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole

C16H15BrN2 — CID 134857704

IUPAC4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole
SMILESCc1cc(Br)c2nc(C)n(-c3ccccc3C)c2c1
InChIInChI=1S/C16H15BrN2/c1-10-8-13(17)16-15(9-10)19(12(3)18-16)14-7-5-4-6-11(14)2/h4-9H,1-3H3
InChIKeyVZTMZTGMMCWKCY-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.71
Rot. Bonds1

About 4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole

4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole (PubChem CID 134857704) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole
PubChem CID134857704
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole
SMILESCc1cc(Br)c2nc(C)n(-c3ccccc3C)c2c1
InChIInChI=1S/C16H15BrN2/c1-10-8-13(17)16-15(9-10)19(12(3)18-16)14-7-5-4-6-11(14)2/h4-9H,1-3H3
InChIKeyVZTMZTGMMCWKCY-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
CID 62507674
1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107638219
5-methyl-1-(2-methylphenyl)benzimidazol-2-amine
CID 43661880
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
(4-bromo-1,6-dimethylbenzimidazol-2-yl)hydrazine
CID 84635551
2-cyclopropyl-6-methyl-1-(2-methylphenyl)benzimidazole
CID 134835912
(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine
CID 84635115
4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 84634849
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642999

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole?
The IUPAC name of 4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole (CID 134857704) is 4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole?
The canonical SMILES for 4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole is Cc1cc(Br)c2nc(C)n(-c3ccccc3C)c2c1.
What is the InChIKey of 4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole?
The InChIKey is VZTMZTGMMCWKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-10-8-13(17)16-15(9-10)19(12(3)18-16)14-7-5-4-6-11(14)2/h4-9H,1-3H3.
What are the key properties of 4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole?
4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole has a molecular weight of 315.21 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 134857704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).