6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one

C25H22N8O — CID 59736249

IUPAC6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one
SMILESO=C1N(c2ccccn2)NC(C2Nc3ccccc3N2c2ccccc2)NN1c1ccccn1
InChIInChI=1S/C25H22N8O/c34-25-32(21-14-6-8-16-26-21)29-23(30-33(25)22-15-7-9-17-27-22)24-28-19-12-4-5-13-20(19)31(24)18-10-2-1-3-11-18/h1-17,23-24,28-30H
InChIKeySXJNEKDWIRBLEZ-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.85
Rot. Bonds4

About 6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one

6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one (PubChem CID 59736249) has the molecular formula C25H22N8O and a molecular weight of 450.51 g/mol. Its IUPAC name is 6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one.

Molecular Properties

Compound Name6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one
PubChem CID59736249
Molecular FormulaC25H22N8O
Molecular Weight450.51 g/mol
Exact Mass450.19
IUPAC Name6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one
SMILESO=C1N(c2ccccn2)NC(C2Nc3ccccc3N2c2ccccc2)NN1c1ccccn1
InChIInChI=1S/C25H22N8O/c34-25-32(21-14-6-8-16-26-21)29-23(30-33(25)22-15-7-9-17-27-22)24-28-19-12-4-5-13-20(19)31(24)18-10-2-1-3-11-18/h1-17,23-24,28-30H
InChIKeySXJNEKDWIRBLEZ-UHFFFAOYSA-N
XLogP3.85
TPSA88.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one?
The IUPAC name of 6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one (CID 59736249) is 6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one.
What is the SMILES notation for 6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one?
The canonical SMILES for 6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one is O=C1N(c2ccccn2)NC(C2Nc3ccccc3N2c2ccccc2)NN1c1ccccn1.
What is the InChIKey of 6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one?
The InChIKey is SXJNEKDWIRBLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O/c34-25-32(21-14-6-8-16-26-21)29-23(30-33(25)22-15-7-9-17-27-22)24-28-19-12-4-5-13-20(19)31(24)18-10-2-1-3-11-18/h1-17,23-24,28-30H.
What are the key properties of 6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one?
6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one has a molecular weight of 450.51 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one is sourced from PubChem (CID 59736249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).