4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine

C19H18N4O3 — CID 86248605

IUPAC4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2cn(-c3ccccc3)c(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H18N4O3/c24-23(25)17-8-6-15(7-9-17)18-14-22(16-4-2-1-3-5-16)19(20-18)21-10-12-26-13-11-21/h1-9,14H,10-13H2
InChIKeyBHVKXAQHEQIEIJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.28
Rot. Bonds4

About 4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine

4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine (PubChem CID 86248605) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine
PubChem CID86248605
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2cn(-c3ccccc3)c(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H18N4O3/c24-23(25)17-8-6-15(7-9-17)18-14-22(16-4-2-1-3-5-16)19(20-18)21-10-12-26-13-11-21/h1-9,14H,10-13H2
InChIKeyBHVKXAQHEQIEIJ-UHFFFAOYSA-N
XLogP3.28
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine?
The IUPAC name of 4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine (CID 86248605) is 4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine is O=[N+]([O-])c1ccc(-c2cn(-c3ccccc3)c(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine?
The InChIKey is BHVKXAQHEQIEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-23(25)17-8-6-15(7-9-17)18-14-22(16-4-2-1-3-5-16)19(20-18)21-10-12-26-13-11-21/h1-9,14H,10-13H2.
What are the key properties of 4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine?
4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine has a molecular weight of 350.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-nitrophenyl)-1-phenylimidazol-2-yl]morpholine is sourced from PubChem (CID 86248605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).