6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole

C11H12BrN3 — CID 84640134

IUPAC6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
SMILESCc1cc(Br)c2c(c1)nc1n2CCNC1
InChIInChI=1S/C11H12BrN3/c1-7-4-8(12)11-9(5-7)14-10-6-13-2-3-15(10)11/h4-5,13H,2-3,6H2,1H3
InChIKeyGRQJMXNCDGFLSJ-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.21
Rot. Bonds

About 6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole

6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole (PubChem CID 84640134) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
PubChem CID84640134
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
SMILESCc1cc(Br)c2c(c1)nc1n2CCNC1
InChIInChI=1S/C11H12BrN3/c1-7-4-8(12)11-9(5-7)14-10-6-13-2-3-15(10)11/h4-5,13H,2-3,6H2,1H3
InChIKeyGRQJMXNCDGFLSJ-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 84646092
7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
CID 82623205
6-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
CID 84619763
3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene
CID 69152446
5-bromo-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-9-amine
CID 66958798
1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene
CID 129261832
2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
CID 68786229
1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
CID 59402630
3-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propanoic acid
CID 84644355
2-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 83636140
3-bromo-6-methyl-2-piperazin-1-ylquinoline
CID 166485336
2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642998

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole?
The IUPAC name of 6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole (CID 84640134) is 6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole?
The canonical SMILES for 6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole is Cc1cc(Br)c2c(c1)nc1n2CCNC1.
What is the InChIKey of 6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole?
The InChIKey is GRQJMXNCDGFLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-7-4-8(12)11-9(5-7)14-10-6-13-2-3-15(10)11/h4-5,13H,2-3,6H2,1H3.
What are the key properties of 6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole?
6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole has a molecular weight of 266.14 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 84640134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).