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

C32H33F2N7O2 — CID 174712802

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2ccccc2CC(C)(C)Nc2nc(C3CNCCO3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C32H33F2N7O2/c1-32(2,18-21-8-4-5-9-23(21)20-12-14-22(42-3)15-13-20)40-30-37-28(26-19-35-16-17-43-26)38-31(39-30)41-25-11-7-6-10-24(25)36-29(41)27(33)34/h4-15,26-27,35H,16-19H2,1-3H3,(H,37,38,39,40)
InChIKeyBOBNHDIEEBFNDJ-UHFFFAOYSA-N
MW585.66 g/mol
LogP5.92
Rot. Bonds9

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

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine (PubChem CID 174712802) has the molecular formula C32H33F2N7O2 and a molecular weight of 585.66 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine
PubChem CID174712802
Molecular FormulaC32H33F2N7O2
Molecular Weight585.66 g/mol
Exact Mass585.27
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2ccccc2CC(C)(C)Nc2nc(C3CNCCO3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C32H33F2N7O2/c1-32(2,18-21-8-4-5-9-23(21)20-12-14-22(42-3)15-13-20)40-30-37-28(26-19-35-16-17-43-26)38-31(39-30)41-25-11-7-6-10-24(25)36-29(41)27(33)34/h4-15,26-27,35H,16-19H2,1-3H3,(H,37,38,39,40)
InChIKeyBOBNHDIEEBFNDJ-UHFFFAOYSA-N
XLogP5.92
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.66
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine (CID 174712802) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine is COc1ccc(-c2ccccc2CC(C)(C)Nc2nc(C3CNCCO3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine?
The InChIKey is BOBNHDIEEBFNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N7O2/c1-32(2,18-21-8-4-5-9-23(21)20-12-14-22(42-3)15-13-20)40-30-37-28(26-19-35-16-17-43-26)38-31(39-30)41-25-11-7-6-10-24(25)36-29(41)27(33)34/h4-15,26-27,35H,16-19H2,1-3H3,(H,37,38,39,40).
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine has a molecular weight of 585.66 g/mol, XLogP of 5.92, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 174712802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).