3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one

C23H19N5O — CID 15012861

IUPAC3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one
SMILESO=c1n(Cc2ccccc2)c(NCc2ccccc2)nc2nc3ccccc3n12
InChIInChI=1S/C23H19N5O/c29-23-27(16-18-11-5-2-6-12-18)21(24-15-17-9-3-1-4-10-17)26-22-25-19-13-7-8-14-20(19)28(22)23/h1-14H,15-16H2,(H,24,25,26)
InChIKeyQIUKNDDIIGZGQY-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.70
Rot. Bonds5

About 3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one

3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one (PubChem CID 15012861) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one
PubChem CID15012861
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one
SMILESO=c1n(Cc2ccccc2)c(NCc2ccccc2)nc2nc3ccccc3n12
InChIInChI=1S/C23H19N5O/c29-23-27(16-18-11-5-2-6-12-18)21(24-15-17-9-3-1-4-10-17)26-22-25-19-13-7-8-14-20(19)28(22)23/h1-14H,15-16H2,(H,24,25,26)
InChIKeyQIUKNDDIIGZGQY-UHFFFAOYSA-N
XLogP3.70
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
CID 2859099
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CID 11595468
1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
CID 2870437
1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine
CID 4673854
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
N,1-dibenzyl-4,5-diphenylimidazol-2-amine
CID 66561407
N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine
CID 155511290
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-benzyl-2-chlorobenzimidazole
CID 3821987
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
1-benzyl-3-piperidin-1-ylquinoxalin-2-one
CID 174769757
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one?
The IUPAC name of 3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one (CID 15012861) is 3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one?
The canonical SMILES for 3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one is O=c1n(Cc2ccccc2)c(NCc2ccccc2)nc2nc3ccccc3n12.
What is the InChIKey of 3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one?
The InChIKey is QIUKNDDIIGZGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c29-23-27(16-18-11-5-2-6-12-18)21(24-15-17-9-3-1-4-10-17)26-22-25-19-13-7-8-14-20(19)28(22)23/h1-14H,15-16H2,(H,24,25,26).
What are the key properties of 3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one?
3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one has a molecular weight of 381.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 15012861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).