6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole

C15H13BrN2 — CID 64723329

IUPAC6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(C)c1
InChIInChI=1S/C15H13BrN2/c1-9-3-5-12(10(2)7-9)15-17-13-6-4-11(16)8-14(13)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyDPMPGSBFWHCZBZ-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.61
Rot. Bonds1

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

6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole (PubChem CID 64723329) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
PubChem CID64723329
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(C)c1
InChIInChI=1S/C15H13BrN2/c1-9-3-5-12(10(2)7-9)15-17-13-6-4-11(16)8-14(13)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyDPMPGSBFWHCZBZ-UHFFFAOYSA-N
XLogP4.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
CID 43629943
2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 63399315
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
[2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004404
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484
2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224790
2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
CID 62866966
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole (CID 64723329) is 6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole is Cc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(C)c1.
What is the InChIKey of 6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole?
The InChIKey is DPMPGSBFWHCZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c1-9-3-5-12(10(2)7-9)15-17-13-6-4-11(16)8-14(13)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole?
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole has a molecular weight of 301.19 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole is sourced from PubChem (CID 64723329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).