6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine

C13H19BrN4O — CID 65344674

IUPAC6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine
SMILESCOCCN(C)CCn1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C13H19BrN4O/c1-17(7-8-19-2)5-6-18-12-9-10(14)3-4-11(12)16-13(18)15/h3-4,9H,5-8H2,1-2H3,(H2,15,16)
InChIKeyDLXYAZRWAZUJIS-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.96
Rot. Bonds6

About 6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine

6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine (PubChem CID 65344674) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine
PubChem CID65344674
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine
SMILESCOCCN(C)CCn1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C13H19BrN4O/c1-17(7-8-19-2)5-6-18-12-9-10(14)3-4-11(12)16-13(18)15/h3-4,9H,5-8H2,1-2H3,(H2,15,16)
InChIKeyDLXYAZRWAZUJIS-UHFFFAOYSA-N
XLogP1.96
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine (CID 65344674) is 6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine is COCCN(C)CCn1c(N)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine?
The InChIKey is DLXYAZRWAZUJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-17(7-8-19-2)5-6-18-12-9-10(14)3-4-11(12)16-13(18)15/h3-4,9H,5-8H2,1-2H3,(H2,15,16).
What are the key properties of 6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine?
6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine has a molecular weight of 327.23 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine is sourced from PubChem (CID 65344674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).