2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol

C21H25F2N7O3 — CID 22036897

IUPAC2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol
SMILESCC1(C)CN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccc(O)cc43)n2)CCO1
InChIInChI=1S/C21H25F2N7O3/c1-21(2)12-29(7-10-33-21)19-25-18(28-5-8-32-9-6-28)26-20(27-19)30-15-11-13(31)3-4-14(15)24-17(30)16(22)23/h3-4,11,16,31H,5-10,12H2,1-2H3
InChIKeyFNUYDLJAQXFNGR-UHFFFAOYSA-N
MW461.47 g/mol
LogP2.31
Rot. Bonds4

About 2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol

2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol (PubChem CID 22036897) has the molecular formula C21H25F2N7O3 and a molecular weight of 461.47 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol
PubChem CID22036897
Molecular FormulaC21H25F2N7O3
Molecular Weight461.47 g/mol
Exact Mass461.20
IUPAC Name2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol
SMILESCC1(C)CN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccc(O)cc43)n2)CCO1
InChIInChI=1S/C21H25F2N7O3/c1-21(2)12-29(7-10-33-21)19-25-18(28-5-8-32-9-6-28)26-20(27-19)30-15-11-13(31)3-4-14(15)24-17(30)16(22)23/h3-4,11,16,31H,5-10,12H2,1-2H3
InChIKeyFNUYDLJAQXFNGR-UHFFFAOYSA-N
XLogP2.31
TPSA101.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol?
The IUPAC name of 2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol (CID 22036897) is 2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol.
What is the SMILES notation for 2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol?
The canonical SMILES for 2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol is CC1(C)CN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccc(O)cc43)n2)CCO1.
What is the InChIKey of 2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol?
The InChIKey is FNUYDLJAQXFNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N7O3/c1-21(2)12-29(7-10-33-21)19-25-18(28-5-8-32-9-6-28)26-20(27-19)30-15-11-13(31)3-4-14(15)24-17(30)16(22)23/h3-4,11,16,31H,5-10,12H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol?
2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol has a molecular weight of 461.47 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol is sourced from PubChem (CID 22036897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).