3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine

C16H11BrN4 — CID 148938245

IUPAC3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine
SMILESNc1nc(-c2cccc(Br)c2)cn2c1nc1ccccc12
InChIInChI=1S/C16H11BrN4/c17-11-5-3-4-10(8-11)13-9-21-14-7-2-1-6-12(14)20-16(21)15(18)19-13/h1-9H,(H2,18,19)
InChIKeyPNJNWZKAPLPXAV-UHFFFAOYSA-N
MW339.20 g/mol
LogP3.89
Rot. Bonds1

About 3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine

3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine (PubChem CID 148938245) has the molecular formula C16H11BrN4 and a molecular weight of 339.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine
PubChem CID148938245
Molecular FormulaC16H11BrN4
Molecular Weight339.20 g/mol
Exact Mass338.02
IUPAC Name3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine
SMILESNc1nc(-c2cccc(Br)c2)cn2c1nc1ccccc12
InChIInChI=1S/C16H11BrN4/c17-11-5-3-4-10(8-11)13-9-21-14-7-2-1-6-12(14)20-16(21)15(18)19-13/h1-9H,(H2,18,19)
InChIKeyPNJNWZKAPLPXAV-UHFFFAOYSA-N
XLogP3.89
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)pyrazino[1,2-a]benzimidazol-1-amine
CID 164609276
2-(4-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25253879
3-benzylpyrazino[1,2-a]benzimidazol-1-amine
CID 164617261
3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole
CID 45034340
(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol
CID 52938093
2,6-bis(3-bromophenyl)-4-phenylpyridine
CID 59428691
2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
CID 3332849
6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 90478004
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine?
The IUPAC name of 3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine (CID 148938245) is 3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine?
The canonical SMILES for 3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine is Nc1nc(-c2cccc(Br)c2)cn2c1nc1ccccc12.
What is the InChIKey of 3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine?
The InChIKey is PNJNWZKAPLPXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4/c17-11-5-3-4-10(8-11)13-9-21-14-7-2-1-6-12(14)20-16(21)15(18)19-13/h1-9H,(H2,18,19).
What are the key properties of 3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine?
3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine has a molecular weight of 339.20 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine is sourced from PubChem (CID 148938245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).