(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine

C12H13BrN4 — CID 84643893

IUPAC(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCc1ccc2c(c1)nc1n(C)c(CN)c(Br)n21
InChIInChI=1S/C12H13BrN4/c1-7-3-4-9-8(5-7)15-12-16(2)10(6-14)11(13)17(9)12/h3-5H,6,14H2,1-2H3
InChIKeyKSKUGODBBZQJAA-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.36
Rot. Bonds1

About (1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine

(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine (PubChem CID 84643893) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is (1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
PubChem CID84643893
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCc1ccc2c(c1)nc1n(C)c(CN)c(Br)n21
InChIInChI=1S/C12H13BrN4/c1-7-3-4-9-8(5-7)15-12-16(2)10(6-14)11(13)17(9)12/h3-5H,6,14H2,1-2H3
InChIKeyKSKUGODBBZQJAA-UHFFFAOYSA-N
XLogP2.36
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84645026
2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84646515
2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84643891
2-bromo-5-methyl-1-propylbenzimidazole
CID 84804393
2-bromo-1-ethyl-5-methylbenzimidazole
CID 84799459
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
[4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine
CID 84609849
1-bromo-3-methylimidazo[1,2-a]benzimidazole-2,6-dicarboxylic acid
CID 84646646
(2,6-dimethylindazol-3-yl)methanamine
CID 84717621
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol
CID 107835396

Frequently Asked Questions

What is the IUPAC name of (1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine?
The IUPAC name of (1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine (CID 84643893) is (1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine.
What is the SMILES notation for (1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine?
The canonical SMILES for (1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine is Cc1ccc2c(c1)nc1n(C)c(CN)c(Br)n21.
What is the InChIKey of (1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine?
The InChIKey is KSKUGODBBZQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-7-3-4-9-8(5-7)15-12-16(2)10(6-14)11(13)17(9)12/h3-5H,6,14H2,1-2H3.
What are the key properties of (1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine?
(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine has a molecular weight of 293.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine is sourced from PubChem (CID 84643893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).