3-benzylpyrazino[1,2-a]benzimidazol-1-amine

C17H14N4 — CID 164617261

IUPAC3-benzylpyrazino[1,2-a]benzimidazol-1-amine
SMILESNc1nc(Cc2ccccc2)cn2c1nc1ccccc12
InChIInChI=1S/C17H14N4/c18-16-17-20-14-8-4-5-9-15(14)21(17)11-13(19-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,18,19)
InChIKeyNULDMQXOPYHTEN-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.06
Rot. Bonds2

About 3-benzylpyrazino[1,2-a]benzimidazol-1-amine

3-benzylpyrazino[1,2-a]benzimidazol-1-amine (PubChem CID 164617261) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-benzylpyrazino[1,2-a]benzimidazol-1-amine.

Molecular Properties

Compound Name3-benzylpyrazino[1,2-a]benzimidazol-1-amine
PubChem CID164617261
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name3-benzylpyrazino[1,2-a]benzimidazol-1-amine
SMILESNc1nc(Cc2ccccc2)cn2c1nc1ccccc12
InChIInChI=1S/C17H14N4/c18-16-17-20-14-8-4-5-9-15(14)21(17)11-13(19-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,18,19)
InChIKeyNULDMQXOPYHTEN-UHFFFAOYSA-N
XLogP3.06
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol
CID 52938093
3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine
CID 148938245
N,N-dimethyl-2-(2-phenylethyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25254339
1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 170023223
2-benzyl-9-fluoroimidazo[1,2-c]quinazolin-5-amine
CID 138689461
2-(4-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25253879
3-(3-methoxyphenyl)pyrazino[1,2-a]benzimidazol-1-amine
CID 164609276
2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 14089450
[3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate
CID 175789099
2-benzyl-7-methylimidazo[1,2-c]quinazolin-5-amine
CID 167675258
4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol
CID 139230486
2-benzylimidazo[1,2-a]pyridine-5-carbaldehyde
CID 117132555

Frequently Asked Questions

What is the IUPAC name of 3-benzylpyrazino[1,2-a]benzimidazol-1-amine?
The IUPAC name of 3-benzylpyrazino[1,2-a]benzimidazol-1-amine (CID 164617261) is 3-benzylpyrazino[1,2-a]benzimidazol-1-amine.
What is the SMILES notation for 3-benzylpyrazino[1,2-a]benzimidazol-1-amine?
The canonical SMILES for 3-benzylpyrazino[1,2-a]benzimidazol-1-amine is Nc1nc(Cc2ccccc2)cn2c1nc1ccccc12.
What is the InChIKey of 3-benzylpyrazino[1,2-a]benzimidazol-1-amine?
The InChIKey is NULDMQXOPYHTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-16-17-20-14-8-4-5-9-15(14)21(17)11-13(19-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,18,19).
What are the key properties of 3-benzylpyrazino[1,2-a]benzimidazol-1-amine?
3-benzylpyrazino[1,2-a]benzimidazol-1-amine has a molecular weight of 274.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylpyrazino[1,2-a]benzimidazol-1-amine is sourced from PubChem (CID 164617261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).