4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid

C32H26N4O4 — CID 171057667

IUPAC4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CC(=O)NN=Cc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C32H26N4O4/c1-40-27-18-16-25(17-19-27)31-34-29(23-8-4-2-5-9-23)30(24-10-6-3-7-11-24)36(31)21-28(37)35-33-20-22-12-14-26(15-13-22)32(38)39/h2-20H,21H2,1H3,(H,35,37)(H,38,39)
InChIKeyFYRVDGIRPJLTKE-UHFFFAOYSA-N
MW530.58 g/mol
LogP5.74
Rot. Bonds9

About 4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid

4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 171057667) has the molecular formula C32H26N4O4 and a molecular weight of 530.58 g/mol. Its IUPAC name is 4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID171057667
Molecular FormulaC32H26N4O4
Molecular Weight530.58 g/mol
Exact Mass530.20
IUPAC Name4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CC(=O)NN=Cc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C32H26N4O4/c1-40-27-18-16-25(17-19-27)31-34-29(23-8-4-2-5-9-23)30(24-10-6-3-7-11-24)36(31)21-28(37)35-33-20-22-12-14-26(15-13-22)32(38)39/h2-20H,21H2,1H3,(H,35,37)(H,38,39)
InChIKeyFYRVDGIRPJLTKE-UHFFFAOYSA-N
XLogP5.74
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
CID 1401780
2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 172676394
4-[(E)-[[2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6879124
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 45023018
4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19208670
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 44722763
N-[3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3254883
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6110034
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
4-[[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 2195688

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid (CID 171057667) is 4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid is COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CC(=O)NN=Cc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is FYRVDGIRPJLTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O4/c1-40-27-18-16-25(17-19-27)31-34-29(23-8-4-2-5-9-23)30(24-10-6-3-7-11-24)36(31)21-28(37)35-33-20-22-12-14-26(15-13-22)32(38)39/h2-20H,21H2,1H3,(H,35,37)(H,38,39).
What are the key properties of 4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid?
4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 530.58 g/mol, XLogP of 5.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 171057667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).