1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one

C23H19N3O2 — CID 132605098

IUPAC1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one
SMILESCOc1ccc(C2c3nc4ccccc4n3CC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-18-13-11-16(12-14-18)22-23-24-19-9-5-6-10-20(19)25(23)15-21(27)26(22)17-7-3-2-4-8-17/h2-14,22H,15H2,1H3
InChIKeyTZIIFMBOQSMQTO-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.18
Rot. Bonds3

About 1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one

1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one (PubChem CID 132605098) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one
PubChem CID132605098
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one
SMILESCOc1ccc(C2c3nc4ccccc4n3CC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-18-13-11-16(12-14-18)22-23-24-19-9-5-6-10-20(19)25(23)15-21(27)26(22)17-7-3-2-4-8-17/h2-14,22H,15H2,1H3
InChIKeyTZIIFMBOQSMQTO-UHFFFAOYSA-N
XLogP4.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one (CID 132605098) is 1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one is COc1ccc(C2c3nc4ccccc4n3CC(=O)N2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one?
The InChIKey is TZIIFMBOQSMQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-18-13-11-16(12-14-18)22-23-24-19-9-5-6-10-20(19)25(23)15-21(27)26(22)17-7-3-2-4-8-17/h2-14,22H,15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one?
1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one has a molecular weight of 369.42 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one is sourced from PubChem (CID 132605098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).