7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one

C21H13ClN4O — CID 56964576

IUPAC7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12
InChIInChI=1S/C21H13ClN4O/c22-15-11-12-17-18(13-15)26-20(27)19(14-7-3-1-4-8-14)23-24-21(26)25(17)16-9-5-2-6-10-16/h1-13H
InChIKeyIKDAEWKBUQVMQD-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.35
Rot. Bonds2

About 7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one

7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one (PubChem CID 56964576) has the molecular formula C21H13ClN4O and a molecular weight of 372.82 g/mol. Its IUPAC name is 7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one.

Molecular Properties

Compound Name7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
PubChem CID56964576
Molecular FormulaC21H13ClN4O
Molecular Weight372.82 g/mol
Exact Mass372.08
IUPAC Name7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12
InChIInChI=1S/C21H13ClN4O/c22-15-11-12-17-18(13-15)26-20(27)19(14-7-3-1-4-8-14)23-24-21(26)25(17)16-9-5-2-6-10-16/h1-13H
InChIKeyIKDAEWKBUQVMQD-UHFFFAOYSA-N
XLogP4.35
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The IUPAC name of 7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one (CID 56964576) is 7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one.
What is the SMILES notation for 7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The canonical SMILES for 7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12.
What is the InChIKey of 7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The InChIKey is IKDAEWKBUQVMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN4O/c22-15-11-12-17-18(13-15)26-20(27)19(14-7-3-1-4-8-14)23-24-21(26)25(17)16-9-5-2-6-10-16/h1-13H.
What are the key properties of 7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one has a molecular weight of 372.82 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is sourced from PubChem (CID 56964576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).