2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine

C12H13BrN4 — CID 84643891

IUPAC2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine
SMILESCc1ccc2c(c1)nc1[nH]c(CCN)c(Br)n12
InChIInChI=1S/C12H13BrN4/c1-7-2-3-10-9(6-7)16-12-15-8(4-5-14)11(13)17(10)12/h2-3,6H,4-5,14H2,1H3,(H,15,16)
InChIKeyMOLIQVOUBJLREJ-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.39
Rot. Bonds2

About 2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine

2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine (PubChem CID 84643891) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine
PubChem CID84643891
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine
SMILESCc1ccc2c(c1)nc1[nH]c(CCN)c(Br)n12
InChIInChI=1S/C12H13BrN4/c1-7-2-3-10-9(6-7)16-12-15-8(4-5-14)11(13)17(10)12/h2-3,6H,4-5,14H2,1H3,(H,15,16)
InChIKeyMOLIQVOUBJLREJ-UHFFFAOYSA-N
XLogP2.39
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643901
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643893
(1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84645503
2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84625789
2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
CID 82332923
2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
CID 171338197
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
2-bromo-1-ethyl-5-methylbenzimidazole
CID 84799459
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919824
6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84622077
2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82288567

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The IUPAC name of 2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine (CID 84643891) is 2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine is Cc1ccc2c(c1)nc1[nH]c(CCN)c(Br)n12.
What is the InChIKey of 2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The InChIKey is MOLIQVOUBJLREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-7-2-3-10-9(6-7)16-12-15-8(4-5-14)11(13)17(10)12/h2-3,6H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine?
2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine has a molecular weight of 293.17 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 84643891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).