3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

C25H22N4O2 — CID 135517143

IUPAC3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1ccccc1O
InChIInChI=1S/C25H22N4O2/c30-22-14-8-7-13-21(22)17-27-28-23(31)15-16-29-18-26-24(19-9-3-1-4-10-19)25(29)20-11-5-2-6-12-20/h1-14,17-18,30H,15-16H2,(H,28,31)/b27-17+
InChIKeyGMKABSSSWHQPRP-WPWMEQJKSA-N
MW410.48 g/mol
LogP4.46
Rot. Bonds7

About 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 135517143) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
PubChem CID135517143
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1ccccc1O
InChIInChI=1S/C25H22N4O2/c30-22-14-8-7-13-21(22)17-27-28-23(31)15-16-29-18-26-24(19-9-3-1-4-10-19)25(29)20-11-5-2-6-12-20/h1-14,17-18,30H,15-16H2,(H,28,31)/b27-17+
InChIKeyGMKABSSSWHQPRP-WPWMEQJKSA-N
XLogP4.46
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (CID 135517143) is 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1ccccc1O.
What is the InChIKey of 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is GMKABSSSWHQPRP-WPWMEQJKSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-22-14-8-7-13-21(22)17-27-28-23(31)15-16-29-18-26-24(19-9-3-1-4-10-19)25(29)20-11-5-2-6-12-20/h1-14,17-18,30H,15-16H2,(H,28,31)/b27-17+.
What are the key properties of 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 410.48 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135517143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).