4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine

C21H25N3O2 — CID 50954717

IUPAC4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine
SMILESCC(C)(Cn1cnc(-c2ccccc2)c1-c1ccco1)N1CCOCC1
InChIInChI=1S/C21H25N3O2/c1-21(2,24-10-13-25-14-11-24)15-23-16-22-19(17-7-4-3-5-8-17)20(23)18-9-6-12-26-18/h3-9,12,16H,10-11,13-15H2,1-2H3
InChIKeyGZIZBAPGJWYPOM-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.92
Rot. Bonds5

About 4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine

4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine (PubChem CID 50954717) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine
PubChem CID50954717
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine
SMILESCC(C)(Cn1cnc(-c2ccccc2)c1-c1ccco1)N1CCOCC1
InChIInChI=1S/C21H25N3O2/c1-21(2,24-10-13-25-14-11-24)15-23-16-22-19(17-7-4-3-5-8-17)20(23)18-9-6-12-26-18/h3-9,12,16H,10-11,13-15H2,1-2H3
InChIKeyGZIZBAPGJWYPOM-UHFFFAOYSA-N
XLogP3.92
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine?
The IUPAC name of 4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine (CID 50954717) is 4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine.
What is the SMILES notation for 4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine?
The canonical SMILES for 4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine is CC(C)(Cn1cnc(-c2ccccc2)c1-c1ccco1)N1CCOCC1.
What is the InChIKey of 4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine?
The InChIKey is GZIZBAPGJWYPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21(2,24-10-13-25-14-11-24)15-23-16-22-19(17-7-4-3-5-8-17)20(23)18-9-6-12-26-18/h3-9,12,16H,10-11,13-15H2,1-2H3.
What are the key properties of 4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine?
4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine has a molecular weight of 351.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-2-methylpropan-2-yl]morpholine is sourced from PubChem (CID 50954717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).