2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole

C15H12Br2N2 — CID 114373909

IUPAC2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3cc(Br)ccc3Br)[nH]c2c1
InChIInChI=1S/C15H12Br2N2/c1-8-5-9(2)14-13(6-8)18-15(19-14)11-7-10(16)3-4-12(11)17/h3-7H,1-2H3,(H,18,19)
InChIKeyUDPJUKHRGILNAC-UHFFFAOYSA-N
MW380.08 g/mol
LogP5.37
Rot. Bonds1

About 2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole

2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 114373909) has the molecular formula C15H12Br2N2 and a molecular weight of 380.08 g/mol. Its IUPAC name is 2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID114373909
Molecular FormulaC15H12Br2N2
Molecular Weight380.08 g/mol
Exact Mass377.94
IUPAC Name2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3cc(Br)ccc3Br)[nH]c2c1
InChIInChI=1S/C15H12Br2N2/c1-8-5-9(2)14-13(6-8)18-15(19-14)11-7-10(16)3-4-12(11)17/h3-7H,1-2H3,(H,18,19)
InChIKeyUDPJUKHRGILNAC-UHFFFAOYSA-N
XLogP5.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.08
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947294
2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82946953
2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole
CID 106854947
2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114560132
3-bromo-5-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947637
4-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82947385
2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 82947476
2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole
CID 90401113
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 82946515
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol
CID 136885917

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole (CID 114373909) is 2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(-c3cc(Br)ccc3Br)[nH]c2c1.
What is the InChIKey of 2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is UDPJUKHRGILNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2/c1-8-5-9(2)14-13(6-8)18-15(19-14)11-7-10(16)3-4-12(11)17/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole?
2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 380.08 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 114373909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).