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

C22H27F2N7O3 — CID 56595422

IUPAC4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCC(C)Oc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H27F2N7O3/c1-14(2)34-16-5-3-4-15-17(16)25-19(18(23)24)31(15)22-27-20(29-6-10-32-11-7-29)26-21(28-22)30-8-12-33-13-9-30/h3-5,14,18H,6-13H2,1-2H3
InChIKeyZGHXHDXLKZDYEF-UHFFFAOYSA-N
MW475.50 g/mol
LogP2.61
Rot. Bonds6

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

4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 56595422) has the molecular formula C22H27F2N7O3 and a molecular weight of 475.50 g/mol. Its IUPAC name is 4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID56595422
Molecular FormulaC22H27F2N7O3
Molecular Weight475.50 g/mol
Exact Mass475.21
IUPAC Name4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCC(C)Oc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H27F2N7O3/c1-14(2)34-16-5-3-4-15-17(16)25-19(18(23)24)31(15)22-27-20(29-6-10-32-11-7-29)26-21(28-22)30-8-12-33-13-9-30/h3-5,14,18H,6-13H2,1-2H3
InChIKeyZGHXHDXLKZDYEF-UHFFFAOYSA-N
XLogP2.61
TPSA90.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 56595422) is 4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is CC(C)Oc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is ZGHXHDXLKZDYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N7O3/c1-14(2)34-16-5-3-4-15-17(16)25-19(18(23)24)31(15)22-27-20(29-6-10-32-11-7-29)26-21(28-22)30-8-12-33-13-9-30/h3-5,14,18H,6-13H2,1-2H3.
What are the key properties of 4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 475.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(difluoromethyl)-4-propan-2-yloxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 56595422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).