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

C21H25F2N7O2 — CID 67527929

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine
SMILESCOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H25F2N7O2/c1-31-15-7-5-6-14-16(15)24-18(17(22)23)30(14)21-26-19(28-8-3-2-4-9-28)25-20(27-21)29-10-12-32-13-11-29/h5-7,17H,2-4,8-13H2,1H3
InChIKeyCPTIDYAKNYZWBL-UHFFFAOYSA-N
MW445.47 g/mol
LogP2.98
Rot. Bonds5

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

4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 67527929) has the molecular formula C21H25F2N7O2 and a molecular weight of 445.47 g/mol. Its IUPAC name is 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID67527929
Molecular FormulaC21H25F2N7O2
Molecular Weight445.47 g/mol
Exact Mass445.20
IUPAC Name4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine
SMILESCOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H25F2N7O2/c1-31-15-7-5-6-14-16(15)24-18(17(22)23)30(14)21-26-19(28-8-3-2-4-9-28)25-20(27-21)29-10-12-32-13-11-29/h5-7,17H,2-4,8-13H2,1H3
InChIKeyCPTIDYAKNYZWBL-UHFFFAOYSA-N
XLogP2.98
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine (CID 67527929) is 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine is COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is CPTIDYAKNYZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N7O2/c1-31-15-7-5-6-14-16(15)24-18(17(22)23)30(14)21-26-19(28-8-3-2-4-9-28)25-20(27-21)29-10-12-32-13-11-29/h5-7,17H,2-4,8-13H2,1H3.
What are the key properties of 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 445.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 67527929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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