3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one

C23H18N4O — CID 56964461

IUPAC3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccccc2)nnc2n(CCc3ccccc3)c3ccccc3n12
InChIInChI=1S/C23H18N4O/c28-22-21(18-11-5-2-6-12-18)24-25-23-26(16-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)27(22)23/h1-14H,15-16H2
InChIKeyKSXSOEGTPRCMSB-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.95
Rot. Bonds4

About 3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one

3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one (PubChem CID 56964461) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
PubChem CID56964461
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccccc2)nnc2n(CCc3ccccc3)c3ccccc3n12
InChIInChI=1S/C23H18N4O/c28-22-21(18-11-5-2-6-12-18)24-25-23-26(16-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)27(22)23/h1-14H,15-16H2
InChIKeyKSXSOEGTPRCMSB-UHFFFAOYSA-N
XLogP3.95
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-Benzyl-3-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 386674
3,10-Diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 10449783
10-Methyl-3-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 9970667
3,10-Dibenzyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 44421628
10-(4-Chlorophenyl)-3-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 56964459
7-Chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 56964576
1-Benzyl-3-phenylquinoxalin-2(1H)-one
CID 91594409
3-(4-Chlorophenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 386673
3-[(Dimethylamino)azamethylene]-1-[(4-phenylpiperazinyl)methyl]benzo[d]azolidi n-2-one
CID 17370151
Cav 3.2 inhibitor 3
CID 165412806
1-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one
CID 1037776
(3Z)-3-[(3-fluorophenyl)imino]-1-[(4-phenylpiperazin-1-yl)methyl]-1,3-dihydro-2H-indol-2-one
CID 1249885

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The IUPAC name of 3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one (CID 56964461) is 3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one.
What is the SMILES notation for 3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The canonical SMILES for 3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one is O=c1c(-c2ccccc2)nnc2n(CCc3ccccc3)c3ccccc3n12.
What is the InChIKey of 3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The InChIKey is KSXSOEGTPRCMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c28-22-21(18-11-5-2-6-12-18)24-25-23-26(16-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)27(22)23/h1-14H,15-16H2.
What are the key properties of 3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one has a molecular weight of 366.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one is sourced from PubChem (CID 56964461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).