4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine

C28H29N3O — CID 140866296

IUPAC4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine
SMILESCC(C)c1cc(-c2ccccc2)cc(N2CCOCC2)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C28H29N3O/c1-21(2)25-19-24(22-9-5-3-6-10-22)20-26(30-15-17-32-18-16-30)27(25)31-14-13-29-28(31)23-11-7-4-8-12-23/h3-14,19-21H,15-18H2,1-2H3
InChIKeyLWEAOTKQOBMLSF-UHFFFAOYSA-N
MW423.56 g/mol
LogP6.17
Rot. Bonds5

About 4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine

4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine (PubChem CID 140866296) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine.

Molecular Properties

Compound Name4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine
PubChem CID140866296
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC Name4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine
SMILESCC(C)c1cc(-c2ccccc2)cc(N2CCOCC2)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C28H29N3O/c1-21(2)25-19-24(22-9-5-3-6-10-22)20-26(30-15-17-32-18-16-30)27(25)31-14-13-29-28(31)23-11-7-4-8-12-23/h3-14,19-21H,15-18H2,1-2H3
InChIKeyLWEAOTKQOBMLSF-UHFFFAOYSA-N
XLogP6.17
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane
CID 144541473
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
CID 140866303
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole
CID 140627594
7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 86711088
9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
CID 58400859
1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole
CID 140723590
4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 174424268
1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole
CID 121354111
1-(3-methoxy-4-propan-2-ylphenyl)-2-phenylimidazole
CID 156877703
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole
CID 140791225

Frequently Asked Questions

What is the IUPAC name of 4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine?
The IUPAC name of 4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine (CID 140866296) is 4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine.
What is the SMILES notation for 4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine?
The canonical SMILES for 4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine is CC(C)c1cc(-c2ccccc2)cc(N2CCOCC2)c1-n1ccnc1-c1ccccc1.
What is the InChIKey of 4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine?
The InChIKey is LWEAOTKQOBMLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c1-21(2)25-19-24(22-9-5-3-6-10-22)20-26(30-15-17-32-18-16-30)27(25)31-14-13-29-28(31)23-11-7-4-8-12-23/h3-14,19-21H,15-18H2,1-2H3.
What are the key properties of 4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine?
4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine has a molecular weight of 423.56 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine is sourced from PubChem (CID 140866296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).