2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole

C13H11BrN2O — CID 106854947

IUPAC2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccoc3Br)[nH]c2c1
InChIInChI=1S/C13H11BrN2O/c1-7-5-8(2)11-10(6-7)15-13(16-11)9-3-4-17-12(9)14/h3-6H,1-2H3,(H,15,16)
InChIKeyZVFHNTKZJNTHMQ-UHFFFAOYSA-N
MW291.15 g/mol
LogP4.20
Rot. Bonds1

About 2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole

2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 106854947) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole
PubChem CID106854947
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccoc3Br)[nH]c2c1
InChIInChI=1S/C13H11BrN2O/c1-7-5-8(2)11-10(6-7)15-13(16-11)9-3-4-17-12(9)14/h3-6H,1-2H3,(H,15,16)
InChIKeyZVFHNTKZJNTHMQ-UHFFFAOYSA-N
XLogP4.20
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114373909
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-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol
CID 136885917
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
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 82946515
2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole
CID 90401113
2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114560132
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 82940862

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole (CID 106854947) is 2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(-c3ccoc3Br)[nH]c2c1.
What is the InChIKey of 2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is ZVFHNTKZJNTHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-7-5-8(2)11-10(6-7)15-13(16-11)9-3-4-17-12(9)14/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole?
2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 291.15 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 106854947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).