4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C31H31F2N7O — CID 66571190

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccccc1-c1ccccc1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C31H31F2N7O/c1-31(2,20-22-12-6-7-13-23(22)21-10-4-3-5-11-21)38-28-35-29(39-16-18-41-19-17-39)37-30(36-28)40-25-15-9-8-14-24(25)34-27(40)26(32)33/h3-15,26H,16-20H2,1-2H3,(H,35,36,37,38)
InChIKeyUAXLGZPASOZJMY-UHFFFAOYSA-N
MW555.63 g/mol
LogP6.08
Rot. Bonds8

About 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 66571190) has the molecular formula C31H31F2N7O and a molecular weight of 555.63 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID66571190
Molecular FormulaC31H31F2N7O
Molecular Weight555.63 g/mol
Exact Mass555.26
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccccc1-c1ccccc1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C31H31F2N7O/c1-31(2,20-22-12-6-7-13-23(22)21-10-4-3-5-11-21)38-28-35-29(39-16-18-41-19-17-39)37-30(36-28)40-25-15-9-8-14-24(25)34-27(40)26(32)33/h3-15,26H,16-20H2,1-2H3,(H,35,36,37,38)
InChIKeyUAXLGZPASOZJMY-UHFFFAOYSA-N
XLogP6.08
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.63
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-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 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 66571190) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC(C)(Cc1ccccc1-c1ccccc1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is UAXLGZPASOZJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N7O/c1-31(2,20-22-12-6-7-13-23(22)21-10-4-3-5-11-21)38-28-35-29(39-16-18-41-19-17-39)37-30(36-28)40-25-15-9-8-14-24(25)34-27(40)26(32)33/h3-15,26H,16-20H2,1-2H3,(H,35,36,37,38).
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 555.63 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66571190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).