4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine

C25H24N4O3 — CID 13117641

IUPAC4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine
SMILESO=[N+]([O-])c1ccc(N2C(c3ccccc3)=NC(N3CCOCC3)C2c2ccccc2)cc1
InChIInChI=1S/C25H24N4O3/c30-29(31)22-13-11-21(12-14-22)28-23(19-7-3-1-4-8-19)25(27-15-17-32-18-16-27)26-24(28)20-9-5-2-6-10-20/h1-14,23,25H,15-18H2
InChIKeyZLOQKRXCSYGWMT-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.26
Rot. Bonds5

About 4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine

4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine (PubChem CID 13117641) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine
PubChem CID13117641
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine
SMILESO=[N+]([O-])c1ccc(N2C(c3ccccc3)=NC(N3CCOCC3)C2c2ccccc2)cc1
InChIInChI=1S/C25H24N4O3/c30-29(31)22-13-11-21(12-14-22)28-23(19-7-3-1-4-8-19)25(27-15-17-32-18-16-27)26-24(28)20-9-5-2-6-10-20/h1-14,23,25H,15-18H2
InChIKeyZLOQKRXCSYGWMT-UHFFFAOYSA-N
XLogP4.26
TPSA71.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.26
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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Related Compounds

1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine
CID 92569436
(4S,5S)-1-(4-methylphenyl)-2-[3-[(4S,5S)-1-(4-methylphenyl)-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-5-nitrophenyl]-4,5-diphenyl-4,5-dihydroimidazole
CID 71653783
(1R,4S)-2-(4-nitrophenyl)-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one
CID 11045565
(4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole
CID 139040757
1-(4-bromophenyl)-4-(4-nitrophenyl)-3-phenylazetidin-2-one
CID 15159107
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
(3S,4S)-2,5-bis(4-nitrophenyl)-3,4-diphenyl-1-sulfanylidene-1,2,5-thiadiazolidine
CID 101438201
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
(Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine
CID 6162232
4-[3-(4-nitrophenyl)-4-(phenylsulfanylmethyl)-4,5-dihydro-1,2-oxazol-5-yl]morpholine
CID 12648054
(2S,5S)-2-methyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 75539302
(4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 71444866

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine?
The IUPAC name of 4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine (CID 13117641) is 4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine.
What is the SMILES notation for 4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine?
The canonical SMILES for 4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine is O=[N+]([O-])c1ccc(N2C(c3ccccc3)=NC(N3CCOCC3)C2c2ccccc2)cc1.
What is the InChIKey of 4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine?
The InChIKey is ZLOQKRXCSYGWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-29(31)22-13-11-21(12-14-22)28-23(19-7-3-1-4-8-19)25(27-15-17-32-18-16-27)26-24(28)20-9-5-2-6-10-20/h1-14,23,25H,15-18H2.
What are the key properties of 4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine?
4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine has a molecular weight of 428.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine is sourced from PubChem (CID 13117641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).