3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile

C18H14N8 — CID 46892463

IUPAC3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile
SMILESCc1nc(N)nc(-n2c(Nc3cccc(C#N)c3)nc3ccccc32)n1
InChIInChI=1S/C18H14N8/c1-11-21-16(20)25-17(22-11)26-15-8-3-2-7-14(15)24-18(26)23-13-6-4-5-12(9-13)10-19/h2-9H,1H3,(H,23,24)(H2,20,21,22,25)
InChIKeyCUUNDDPTSJYXGA-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.72
Rot. Bonds3

About 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile

3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile (PubChem CID 46892463) has the molecular formula C18H14N8 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile
PubChem CID46892463
Molecular FormulaC18H14N8
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Name3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile
SMILESCc1nc(N)nc(-n2c(Nc3cccc(C#N)c3)nc3ccccc32)n1
InChIInChI=1S/C18H14N8/c1-11-21-16(20)25-17(22-11)26-15-8-3-2-7-14(15)24-18(26)23-13-6-4-5-12(9-13)10-19/h2-9H,1H3,(H,23,24)(H2,20,21,22,25)
InChIKeyCUUNDDPTSJYXGA-UHFFFAOYSA-N
XLogP2.72
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile?
The IUPAC name of 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile (CID 46892463) is 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile.
What is the SMILES notation for 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile?
The canonical SMILES for 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile is Cc1nc(N)nc(-n2c(Nc3cccc(C#N)c3)nc3ccccc32)n1.
What is the InChIKey of 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile?
The InChIKey is CUUNDDPTSJYXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8/c1-11-21-16(20)25-17(22-11)26-15-8-3-2-7-14(15)24-18(26)23-13-6-4-5-12(9-13)10-19/h2-9H,1H3,(H,23,24)(H2,20,21,22,25).
What are the key properties of 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile?
3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile has a molecular weight of 342.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile is sourced from PubChem (CID 46892463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).