2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole

C13H10BrN3 — CID 62958312

IUPAC2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(Br)cn3)[nH]c2c1
InChIInChI=1S/C13H10BrN3/c1-8-2-4-10-12(6-8)17-13(16-10)11-5-3-9(14)7-15-11/h2-7H,1H3,(H,16,17)
InChIKeyKQLBVFNFSJVJQY-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.70
Rot. Bonds1

About 2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole

2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole (PubChem CID 62958312) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
PubChem CID62958312
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(Br)cn3)[nH]c2c1
InChIInChI=1S/C13H10BrN3/c1-8-2-4-10-12(6-8)17-13(16-10)11-5-3-9(14)7-15-11/h2-7H,1H3,(H,16,17)
InChIKeyKQLBVFNFSJVJQY-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 104639104
2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 55153437
2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole
CID 66602195
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909112
6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
CID 64725155
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
[2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
CID 66602165
2-bromo-6-methyl-1H-benzimidazole
CID 18967090
6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole
CID 158164125
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole (CID 62958312) is 2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole is Cc1ccc2nc(-c3ccc(Br)cn3)[nH]c2c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole?
The InChIKey is KQLBVFNFSJVJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-8-2-4-10-12(6-8)17-13(16-10)11-5-3-9(14)7-15-11/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole?
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole has a molecular weight of 288.15 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole is sourced from PubChem (CID 62958312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).