1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine

C23H21F2N7O2 — CID 118892327

IUPAC1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine
SMILESC=C(N)c1ccc(Oc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C23H21F2N7O2/c1-14(26)15-6-8-16(9-7-15)34-23-29-21(31-10-12-33-13-11-31)28-22(30-23)32-18-5-3-2-4-17(18)27-20(32)19(24)25/h2-9,19H,1,10-13,26H2
InChIKeyCXURZVHRLDMTDI-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.71
Rot. Bonds6

About 1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine

1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine (PubChem CID 118892327) has the molecular formula C23H21F2N7O2 and a molecular weight of 465.46 g/mol. Its IUPAC name is 1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine.

Molecular Properties

Compound Name1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine
PubChem CID118892327
Molecular FormulaC23H21F2N7O2
Molecular Weight465.46 g/mol
Exact Mass465.17
IUPAC Name1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine
SMILESC=C(N)c1ccc(Oc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C23H21F2N7O2/c1-14(26)15-6-8-16(9-7-15)34-23-29-21(31-10-12-33-13-11-31)28-22(30-23)32-18-5-3-2-4-17(18)27-20(32)19(24)25/h2-9,19H,1,10-13,26H2
InChIKeyCXURZVHRLDMTDI-UHFFFAOYSA-N
XLogP3.71
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-pyridin-3-yloxy-1,3,5-triazin-2-yl]morpholine
CID 58102783
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-sulfinic acid
CID 118638783
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 11955443
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-3-amine
CID 134147858
(2R,3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,3-dimethylmorpholine
CID 42613855
(2S,3S)-2-amino-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methylpentan-1-one
CID 71526880
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 54577773
2-amino-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-1-yl]ethanone
CID 134138249
1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 71527009
(2S)-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 71527008
2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol
CID 146626007

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine?
The IUPAC name of 1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine (CID 118892327) is 1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine.
What is the SMILES notation for 1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine?
The canonical SMILES for 1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine is C=C(N)c1ccc(Oc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.
What is the InChIKey of 1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine?
The InChIKey is CXURZVHRLDMTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2/c1-14(26)15-6-8-16(9-7-15)34-23-29-21(31-10-12-33-13-11-31)28-22(30-23)32-18-5-3-2-4-17(18)27-20(32)19(24)25/h2-9,19H,1,10-13,26H2.
What are the key properties of 1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine?
1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine has a molecular weight of 465.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine is sourced from PubChem (CID 118892327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).