2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine

C19H22F2N8O2 — CID 22036837

IUPAC2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine
SMILESNc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H22F2N8O2/c20-15(21)16-23-14-12(22)2-1-3-13(14)29(16)19-25-17(27-4-8-30-9-5-27)24-18(26-19)28-6-10-31-11-7-28/h1-3,15H,4-11,22H2
InChIKeyLRYSHDDWCVYSPV-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.40
Rot. Bonds4

About 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine

2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine (PubChem CID 22036837) has the molecular formula C19H22F2N8O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine
PubChem CID22036837
Molecular FormulaC19H22F2N8O2
Molecular Weight432.44 g/mol
Exact Mass432.18
IUPAC Name2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine
SMILESNc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H22F2N8O2/c20-15(21)16-23-14-12(22)2-1-3-13(14)29(16)19-25-17(27-4-8-30-9-5-27)24-18(26-19)28-6-10-31-11-7-28/h1-3,15H,4-11,22H2
InChIKeyLRYSHDDWCVYSPV-UHFFFAOYSA-N
XLogP1.40
TPSA107.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine 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 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine?
The IUPAC name of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine (CID 22036837) is 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine?
The canonical SMILES for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine is Nc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine?
The InChIKey is LRYSHDDWCVYSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N8O2/c20-15(21)16-23-14-12(22)2-1-3-13(14)29(16)19-25-17(27-4-8-30-9-5-27)24-18(26-19)28-6-10-31-11-7-28/h1-3,15H,4-11,22H2.
What are the key properties of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine?
2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine has a molecular weight of 432.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine is sourced from PubChem (CID 22036837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).