2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine

C15H19BrN4 — CID 84646515

IUPAC2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
SMILESCC(C)c1ccc2nc3n(C)c(CCN)c(Br)n3c2c1
InChIInChI=1S/C15H19BrN4/c1-9(2)10-4-5-11-13(8-10)20-14(16)12(6-7-17)19(3)15(20)18-11/h4-5,8-9H,6-7,17H2,1-3H3
InChIKeyIVZQAFJUVXSQFB-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.21
Rot. Bonds3

About 2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine

2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine (PubChem CID 84646515) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
PubChem CID84646515
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
SMILESCC(C)c1ccc2nc3n(C)c(CCN)c(Br)n3c2c1
InChIInChI=1S/C15H19BrN4/c1-9(2)10-4-5-11-13(8-10)20-14(16)12(6-7-17)19(3)15(20)18-11/h4-5,8-9H,6-7,17H2,1-3H3
InChIKeyIVZQAFJUVXSQFB-UHFFFAOYSA-N
XLogP3.21
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643893
1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84646569
3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333928
(3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630360
2-[2-[2-(2-aminoethyl)-4-propan-2-ylphenyl]sulfanyl-5-propan-2-ylphenyl]ethanamine
CID 67298155
3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one
CID 84637230
2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol
CID 83895796
2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol
CID 83895795
2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84641631
2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine
CID 84642829
1-methyl-7-propan-2-ylquinoxalin-2-one
CID 58229471
3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333924

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The IUPAC name of 2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine (CID 84646515) is 2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine is CC(C)c1ccc2nc3n(C)c(CCN)c(Br)n3c2c1.
What is the InChIKey of 2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The InChIKey is IVZQAFJUVXSQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-9(2)10-4-5-11-13(8-10)20-14(16)12(6-7-17)19(3)15(20)18-11/h4-5,8-9H,6-7,17H2,1-3H3.
What are the key properties of 2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine has a molecular weight of 335.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 84646515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).