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

C32H33F2N7O — CID 66571250

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccccc1-c1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C32H33F2N7O/c1-21-10-4-6-12-23(21)24-13-7-5-11-22(24)20-32(2,3)39-29-36-30(40-16-18-42-19-17-40)38-31(37-29)41-26-15-9-8-14-25(26)35-28(41)27(33)34/h4-15,27H,16-20H2,1-3H3,(H,36,37,38,39)
InChIKeySJNZAIURMJORQA-UHFFFAOYSA-N
MW569.66 g/mol
LogP6.39
Rot. Bonds8

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

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 66571250) has the molecular formula C32H33F2N7O and a molecular weight of 569.66 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]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-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID66571250
Molecular FormulaC32H33F2N7O
Molecular Weight569.66 g/mol
Exact Mass569.27
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccccc1-c1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C32H33F2N7O/c1-21-10-4-6-12-23(21)24-13-7-5-11-22(24)20-32(2,3)39-29-36-30(40-16-18-42-19-17-40)38-31(37-29)41-26-15-9-8-14-25(26)35-28(41)27(33)34/h4-15,27H,16-20H2,1-3H3,(H,36,37,38,39)
InChIKeySJNZAIURMJORQA-UHFFFAOYSA-N
XLogP6.39
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.66
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]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-(2-methylphenyl)phenyl]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-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 66571250) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]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-(2-methylphenyl)phenyl]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-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1ccccc1-c1ccccc1CC(C)(C)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-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is SJNZAIURMJORQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N7O/c1-21-10-4-6-12-23(21)24-13-7-5-11-22(24)20-32(2,3)39-29-36-30(40-16-18-42-19-17-40)38-31(37-29)41-26-15-9-8-14-25(26)35-28(41)27(33)34/h4-15,27H,16-20H2,1-3H3,(H,36,37,38,39).
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 569.66 g/mol, XLogP of 6.39, 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-(2-methylphenyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66571250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).