2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine

C12H9BrN4 — CID 143074380

IUPAC2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cccc(Br)n3)[nH]c2c1
InChIInChI=1S/C12H9BrN4/c13-11-3-1-2-9(15-11)12-16-8-5-4-7(14)6-10(8)17-12/h1-6H,14H2,(H,16,17)
InChIKeyLLLLKFOFILPGSR-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.97
Rot. Bonds1

About 2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine

2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine (PubChem CID 143074380) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine
PubChem CID143074380
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cccc(Br)n3)[nH]c2c1
InChIInChI=1S/C12H9BrN4/c13-11-3-1-2-9(15-11)12-16-8-5-4-7(14)6-10(8)17-12/h1-6H,14H2,(H,16,17)
InChIKeyLLLLKFOFILPGSR-UHFFFAOYSA-N
XLogP2.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
CID 118989540
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine
CID 55100100
2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine
CID 107962399
2-(2-iodophenyl)-3H-benzimidazol-5-amine
CID 24706504
2-(2-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323
2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
CID 43629943
2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine
CID 114033353
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
CID 23085660

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine (CID 143074380) is 2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3cccc(Br)n3)[nH]c2c1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine?
The InChIKey is LLLLKFOFILPGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-11-3-1-2-9(15-11)12-16-8-5-4-7(14)6-10(8)17-12/h1-6H,14H2,(H,16,17).
What are the key properties of 2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine?
2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine has a molecular weight of 289.14 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 143074380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).