1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine

C12H13BrN4 — CID 84643906

IUPAC1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1cn2c3cccc(Br)c3nc2n1C
InChIInChI=1S/C12H13BrN4/c1-14-6-8-7-17-10-5-3-4-9(13)11(10)15-12(17)16(8)2/h3-5,7,14H,6H2,1-2H3
InChIKeyAFXBXUHKZFGRTK-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.31
Rot. Bonds2

About 1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine

1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine (PubChem CID 84643906) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
PubChem CID84643906
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1cn2c3cccc(Br)c3nc2n1C
InChIInChI=1S/C12H13BrN4/c1-14-6-8-7-17-10-5-3-4-9(13)11(10)15-12(17)16(8)2/h3-5,7,14H,6H2,1-2H3
InChIKeyAFXBXUHKZFGRTK-UHFFFAOYSA-N
XLogP2.31
TPSA34.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3,6,7-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630375
N-methyl-1-(3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84636129
2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84633298
4-bromo-2-tert-butyl-1-methylbenzimidazole
CID 82379645
4-bromo-1-propylbenzimidazol-2-amine
CID 84804649
1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
CID 84646913
1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one
CID 83866935
(3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84625514
1-(2-aminoethyl)-4-bromobenzimidazol-2-amine
CID 84804855
N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84644086
3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
CID 84739104
4-bromo-1-butyl-2-chlorobenzimidazole
CID 164912104

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine (CID 84643906) is 1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine is CNCc1cn2c3cccc(Br)c3nc2n1C.
What is the InChIKey of 1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
The InChIKey is AFXBXUHKZFGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-14-6-8-7-17-10-5-3-4-9(13)11(10)15-12(17)16(8)2/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine has a molecular weight of 293.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84643906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).