4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C21H25F2N7O4 — CID 56595685

IUPAC4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCOc1ccc2c(nc(C(F)F)n2-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1OC
InChIInChI=1S/C21H25F2N7O4/c1-31-14-4-3-13-15(16(14)32-2)24-18(17(22)23)30(13)21-26-19(28-5-9-33-10-6-28)25-20(27-21)29-7-11-34-12-8-29/h3-4,17H,5-12H2,1-2H3
InChIKeyXZCFLSVUEQRRCU-UHFFFAOYSA-N
MW477.47 g/mol
LogP1.84
Rot. Bonds6

About 4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 56595685) has the molecular formula C21H25F2N7O4 and a molecular weight of 477.47 g/mol. Its IUPAC name is 4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID56595685
Molecular FormulaC21H25F2N7O4
Molecular Weight477.47 g/mol
Exact Mass477.19
IUPAC Name4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCOc1ccc2c(nc(C(F)F)n2-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1OC
InChIInChI=1S/C21H25F2N7O4/c1-31-14-4-3-13-15(16(14)32-2)24-18(17(22)23)30(13)21-26-19(28-5-9-33-10-6-28)25-20(27-21)29-7-11-34-12-8-29/h3-4,17H,5-12H2,1-2H3
InChIKeyXZCFLSVUEQRRCU-UHFFFAOYSA-N
XLogP1.84
TPSA99.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.47
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 56595685) is 4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is COc1ccc2c(nc(C(F)F)n2-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1OC.
What is the InChIKey of 4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is XZCFLSVUEQRRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N7O4/c1-31-14-4-3-13-15(16(14)32-2)24-18(17(22)23)30(13)21-26-19(28-5-9-33-10-6-28)25-20(27-21)29-7-11-34-12-8-29/h3-4,17H,5-12H2,1-2H3.
What are the key properties of 4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 477.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 56595685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).