4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol

C16H12N4O — CID 164626019

IUPAC4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol
SMILESNc1nc(-c2ccc(O)cc2)cn2c1nc1ccccc12
InChIInChI=1S/C16H12N4O/c17-15-16-19-12-3-1-2-4-14(12)20(16)9-13(18-15)10-5-7-11(21)8-6-10/h1-9,21H,(H2,17,18)
InChIKeyHLYYTTPEUPIGEA-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.84
Rot. Bonds1

About 4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol

4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol (PubChem CID 164626019) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol.

Molecular Properties

Compound Name4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol
PubChem CID164626019
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol
SMILESNc1nc(-c2ccc(O)cc2)cn2c1nc1ccccc12
InChIInChI=1S/C16H12N4O/c17-15-16-19-12-3-1-2-4-14(12)20(16)9-13(18-15)10-5-7-11(21)8-6-10/h1-9,21H,(H2,17,18)
InChIKeyHLYYTTPEUPIGEA-UHFFFAOYSA-N
XLogP2.84
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol?
The IUPAC name of 4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol (CID 164626019) is 4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol.
What is the SMILES notation for 4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol?
The canonical SMILES for 4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol is Nc1nc(-c2ccc(O)cc2)cn2c1nc1ccccc12.
What is the InChIKey of 4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol?
The InChIKey is HLYYTTPEUPIGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-15-16-19-12-3-1-2-4-14(12)20(16)9-13(18-15)10-5-7-11(21)8-6-10/h1-9,21H,(H2,17,18).
What are the key properties of 4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol?
4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol has a molecular weight of 276.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopyrazino[1,2-a]benzimidazol-3-yl)phenol is sourced from PubChem (CID 164626019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).