6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole

C13H9Br2N3 — CID 104574633

IUPAC6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(-c3cncc(Br)c3)nc12
InChIInChI=1S/C13H9Br2N3/c1-7-2-9(14)4-11-12(7)18-13(17-11)8-3-10(15)6-16-5-8/h2-6H,1H3,(H,17,18)
InChIKeyICOCDVAGJJUWJY-UHFFFAOYSA-N
MW367.04 g/mol
LogP4.46
Rot. Bonds1

About 6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole

6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole (PubChem CID 104574633) has the molecular formula C13H9Br2N3 and a molecular weight of 367.04 g/mol. Its IUPAC name is 6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
PubChem CID104574633
Molecular FormulaC13H9Br2N3
Molecular Weight367.04 g/mol
Exact Mass364.92
IUPAC Name6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(-c3cncc(Br)c3)nc12
InChIInChI=1S/C13H9Br2N3/c1-7-2-9(14)4-11-12(7)18-13(17-11)8-3-10(15)6-16-5-8/h2-6H,1H3,(H,17,18)
InChIKeyICOCDVAGJJUWJY-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
CID 107939548
5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 104574243
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503
4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
CID 82946962
6-bromo-2-(4-bromo-3-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574555
2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
CID 107812850
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
CID 104574626
3-bromo-5-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947637
5-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82947728
6-bromo-2-[3-(chloromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 113428428
8-(5-bromo-3-pyridinyl)-7H-purine
CID 114402746

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole (CID 104574633) is 6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole is Cc1cc(Br)cc2[nH]c(-c3cncc(Br)c3)nc12.
What is the InChIKey of 6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole?
The InChIKey is ICOCDVAGJJUWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3/c1-7-2-9(14)4-11-12(7)18-13(17-11)8-3-10(15)6-16-5-8/h2-6H,1H3,(H,17,18).
What are the key properties of 6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole?
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole has a molecular weight of 367.04 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 104574633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).