3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide

C26H24N4O2 — CID 35583303

IUPAC3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(/C=N\NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C26H24N4O2/c1-32-23-14-8-9-20(17-23)18-28-29-24(31)15-16-30-19-27-25(21-10-4-2-5-11-21)26(30)22-12-6-3-7-13-22/h2-14,17-19H,15-16H2,1H3,(H,29,31)/b28-18-
InChIKeyGJLRVTHKDUKWRX-VEILYXNESA-N
MW424.50 g/mol
LogP4.77
Rot. Bonds8

About 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide

3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide (PubChem CID 35583303) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
PubChem CID35583303
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(/C=N\NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C26H24N4O2/c1-32-23-14-8-9-20(17-23)18-28-29-24(31)15-16-30-19-27-25(21-10-4-2-5-11-21)26(30)22-12-6-3-7-13-22/h2-14,17-19H,15-16H2,1H3,(H,29,31)/b28-18-
InChIKeyGJLRVTHKDUKWRX-VEILYXNESA-N
XLogP4.77
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(4-octoxyphenyl)methylideneamino]propanamide
CID 17028298
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 5334959
3-(benzotriazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5424028
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 5451910
3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135641994
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
2-(2-ethoxyphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 2425831
N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3539008
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
N-[(3-methoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 2692852
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide (CID 35583303) is 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide is COc1cccc(/C=N\NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)c1.
What is the InChIKey of 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is GJLRVTHKDUKWRX-VEILYXNESA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-23-14-8-9-20(17-23)18-28-29-24(31)15-16-30-19-27-25(21-10-4-2-5-11-21)26(30)22-12-6-3-7-13-22/h2-14,17-19H,15-16H2,1H3,(H,29,31)/b28-18-.
What are the key properties of 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide?
3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 424.50 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 35583303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).