4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine

C24H26F3N3O — CID 53321340

IUPAC4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine
SMILESCC(C)n1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H26F3N3O/c1-17(2)30-16-22(19-6-4-8-21(14-19)24(25,26)27)28-23(30)20-7-3-5-18(13-20)15-29-9-11-31-12-10-29/h3-8,13-14,16-17H,9-12,15H2,1-2H3
InChIKeyIFSPIITUKXZDJT-UHFFFAOYSA-N
MW429.49 g/mol
LogP5.65
Rot. Bonds5

About 4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine

4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine (PubChem CID 53321340) has the molecular formula C24H26F3N3O and a molecular weight of 429.49 g/mol. Its IUPAC name is 4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine
PubChem CID53321340
Molecular FormulaC24H26F3N3O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine
SMILESCC(C)n1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H26F3N3O/c1-17(2)30-16-22(19-6-4-8-21(14-19)24(25,26)27)28-23(30)20-7-3-5-18(13-20)15-29-9-11-31-12-10-29/h3-8,13-14,16-17H,9-12,15H2,1-2H3
InChIKeyIFSPIITUKXZDJT-UHFFFAOYSA-N
XLogP5.65
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine (CID 53321340) is 4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine is CC(C)n1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine?
The InChIKey is IFSPIITUKXZDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O/c1-17(2)30-16-22(19-6-4-8-21(14-19)24(25,26)27)28-23(30)20-7-3-5-18(13-20)15-29-9-11-31-12-10-29/h3-8,13-14,16-17H,9-12,15H2,1-2H3.
What are the key properties of 4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine?
4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine has a molecular weight of 429.49 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 53321340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).