2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine

C13H14BrN5 — CID 84604064

IUPAC2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine
SMILESCn1cnc2cc(-c3nc(Br)[nH]c3CCN)ccc21
InChIInChI=1S/C13H14BrN5/c1-19-7-16-10-6-8(2-3-11(10)19)12-9(4-5-15)17-13(14)18-12/h2-3,6-7H,4-5,15H2,1H3,(H,17,18)
InChIKeyWGAFOIDDGXGNIW-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.23
Rot. Bonds3

About 2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine

2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine (PubChem CID 84604064) has the molecular formula C13H14BrN5 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine
PubChem CID84604064
Molecular FormulaC13H14BrN5
Molecular Weight320.19 g/mol
Exact Mass319.04
IUPAC Name2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine
SMILESCn1cnc2cc(-c3nc(Br)[nH]c3CCN)ccc21
InChIInChI=1S/C13H14BrN5/c1-19-7-16-10-6-8(2-3-11(10)19)12-9(4-5-15)17-13(14)18-12/h2-3,6-7H,4-5,15H2,1H3,(H,17,18)
InChIKeyWGAFOIDDGXGNIW-UHFFFAOYSA-N
XLogP2.23
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine (CID 84604064) is 2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine is Cn1cnc2cc(-c3nc(Br)[nH]c3CCN)ccc21.
What is the InChIKey of 2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is WGAFOIDDGXGNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5/c1-19-7-16-10-6-8(2-3-11(10)19)12-9(4-5-15)17-13(14)18-12/h2-3,6-7H,4-5,15H2,1H3,(H,17,18).
What are the key properties of 2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine?
2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 320.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 84604064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).