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

C25H25F4N7O — CID 175057403

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1c(F)cccc1F)Nc1nc(C2CNCCO2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C25H25F4N7O/c1-25(2,12-14-15(26)6-5-7-16(14)27)35-23-32-21(19-13-30-10-11-37-19)33-24(34-23)36-18-9-4-3-8-17(18)31-22(36)20(28)29/h3-9,19-20,30H,10-13H2,1-2H3,(H,32,33,34,35)
InChIKeyPMOLVDMAYJBZBV-UHFFFAOYSA-N
MW515.52 g/mol
LogP4.52
Rot. Bonds7

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

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine (PubChem CID 175057403) has the molecular formula C25H25F4N7O and a molecular weight of 515.52 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine
PubChem CID175057403
Molecular FormulaC25H25F4N7O
Molecular Weight515.52 g/mol
Exact Mass515.21
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1c(F)cccc1F)Nc1nc(C2CNCCO2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C25H25F4N7O/c1-25(2,12-14-15(26)6-5-7-16(14)27)35-23-32-21(19-13-30-10-11-37-19)33-24(34-23)36-18-9-4-3-8-17(18)31-22(36)20(28)29/h3-9,19-20,30H,10-13H2,1-2H3,(H,32,33,34,35)
InChIKeyPMOLVDMAYJBZBV-UHFFFAOYSA-N
XLogP4.52
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-(Difluoromethyl)-1-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-1H-benzimidazole
CID 11647372
5H-Pyrrolo(3,2-d)pyrimidine, 2-methyl-4-(4-morpholinyl)-6-phenyl-
CID 3087469
1-(3-Morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3157185
2-(Difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine
CID 22036837
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-amine
CID 658809
Zandelisib
CID 66571003
Benzimidazole deriv. 6
CID 5329406
(2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine
CID 57395287
(2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine
CID 57402315
11-[2-(4-Morpholinyl)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CID 646285
N-[4-(diethylamino)benzyl]-1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-amine
CID 1291397

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine (CID 175057403) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine is CC(C)(Cc1c(F)cccc1F)Nc1nc(C2CNCCO2)nc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine?
The InChIKey is PMOLVDMAYJBZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N7O/c1-25(2,12-14-15(26)6-5-7-16(14)27)35-23-32-21(19-13-30-10-11-37-19)33-24(34-23)36-18-9-4-3-8-17(18)31-22(36)20(28)29/h3-9,19-20,30H,10-13H2,1-2H3,(H,32,33,34,35).
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine has a molecular weight of 515.52 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 175057403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).