[3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone

C22H22N4O2 — CID 6160351

IUPAC[3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone
SMILESCc1ccc(-n2cnc(/N=C/N3CCOCC3)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c1-17-7-9-19(10-8-17)26-16-24-22(23-15-25-11-13-28-14-12-25)20(26)21(27)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3/b23-15+
InChIKeyUCDKLMTYEDPEMY-HZHRSRAPSA-N
MW374.44 g/mol
LogP3.40
Rot. Bonds5

About [3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone

[3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone (PubChem CID 6160351) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone
PubChem CID6160351
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone
SMILESCc1ccc(-n2cnc(/N=C/N3CCOCC3)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c1-17-7-9-19(10-8-17)26-16-24-22(23-15-25-11-13-28-14-12-25)20(26)21(27)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3/b23-15+
InChIKeyUCDKLMTYEDPEMY-HZHRSRAPSA-N
XLogP3.40
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone?
The IUPAC name of [3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone (CID 6160351) is [3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone?
The canonical SMILES for [3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone is Cc1ccc(-n2cnc(/N=C/N3CCOCC3)c2C(=O)c2ccccc2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone?
The InChIKey is UCDKLMTYEDPEMY-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-17-7-9-19(10-8-17)26-16-24-22(23-15-25-11-13-28-14-12-25)20(26)21(27)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3/b23-15+.
What are the key properties of [3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone?
[3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone has a molecular weight of 374.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-5-[(E)-morpholin-4-ylmethylideneamino]imidazol-4-yl]-phenylmethanone is sourced from PubChem (CID 6160351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).