5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine

C13H11BrN4 — CID 104574243

IUPAC5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
SMILESCc1cc(Br)cc2[nH]c(-c3ccc(N)nc3)nc12
InChIInChI=1S/C13H11BrN4/c1-7-4-9(14)5-10-12(7)18-13(17-10)8-2-3-11(15)16-6-8/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyCBSRUKKAEFRQFA-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.28
Rot. Bonds1

About 5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine

5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine (PubChem CID 104574243) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
PubChem CID104574243
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
SMILESCc1cc(Br)cc2[nH]c(-c3ccc(N)nc3)nc12
InChIInChI=1S/C13H11BrN4/c1-7-4-9(14)5-10-12(7)18-13(17-10)8-2-3-11(15)16-6-8/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyCBSRUKKAEFRQFA-UHFFFAOYSA-N
XLogP3.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
CID 107812850
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
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
6-bromo-2-(4-bromo-3-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574555
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
CID 104574626
6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
CID 107939548
6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 104574515
3-bromo-5-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947637
6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole
CID 113428441
6-bromo-2-[3-(chloromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 113428428
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 104574178

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine (CID 104574243) is 5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine is Cc1cc(Br)cc2[nH]c(-c3ccc(N)nc3)nc12.
What is the InChIKey of 5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine?
The InChIKey is CBSRUKKAEFRQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-7-4-9(14)5-10-12(7)18-13(17-10)8-2-3-11(15)16-6-8/h2-6H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine?
5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine has a molecular weight of 303.16 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 104574243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).