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

C18H17N7O — CID 54580062

IUPAC3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol
SMILESCCc1nc(N)nc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1
InChIInChI=1S/C18H17N7O/c1-2-15-22-16(19)24-18(23-15)25-14-9-4-3-8-13(14)21-17(25)20-11-6-5-7-12(26)10-11/h3-10,26H,2H2,1H3,(H,20,21)(H2,19,22,23,24)
InChIKeyRWVLCUCUWPHFTQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.80
Rot. Bonds4

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

3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol (PubChem CID 54580062) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol
PubChem CID54580062
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol
SMILESCCc1nc(N)nc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1
InChIInChI=1S/C18H17N7O/c1-2-15-22-16(19)24-18(23-15)25-14-9-4-3-8-13(14)21-17(25)20-11-6-5-7-12(26)10-11/h3-10,26H,2H2,1H3,(H,20,21)(H2,19,22,23,24)
InChIKeyRWVLCUCUWPHFTQ-UHFFFAOYSA-N
XLogP2.80
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol 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-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol?
The IUPAC name of 3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol (CID 54580062) is 3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol.
What is the SMILES notation for 3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol?
The canonical SMILES for 3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol is CCc1nc(N)nc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1.
What is the InChIKey of 3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol?
The InChIKey is RWVLCUCUWPHFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-2-15-22-16(19)24-18(23-15)25-14-9-4-3-8-13(14)21-17(25)20-11-6-5-7-12(26)10-11/h3-10,26H,2H2,1H3,(H,20,21)(H2,19,22,23,24).
What are the key properties of 3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol?
3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol has a molecular weight of 347.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol is sourced from PubChem (CID 54580062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).