5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid

C34H26ClN3O3S — CID 87396623

About 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid

5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid (PubChem CID 87396623) has the molecular formula C34H26ClN3O3S and a molecular weight of 592.12 g/mol. Its IUPAC name is 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid
• PubChem CID: 87396623
• Molecular Formula: C34H26ClN3O3S
• Molecular Weight: 592.12 g/mol
• Exact Mass: 591.14
• IUPAC Name: 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid
• SMILES: Cc1c(-c2cnc3ccc(N=C(c4ccccc4)c4ccccc4)cn23)sc(C(=O)O)c1OC(C)c1ccccc1Cl
• InChI: InChI=1S/C34H26ClN3O3S/c1-21-31(41-22(2)26-15-9-10-16-27(26)35)33(34(39)40)42-32(21)28-19-36-29-18-17-25(20-38(28)29)37-30(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-20,22H,1-2H3,(H,39,40)
• InChIKey: SXVSGHQAMAIGKM-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.12
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid?

The IUPAC name of 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid (CID 87396623) is 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid.

What is the SMILES notation for 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid?

The canonical SMILES for 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid is Cc1c(-c2cnc3ccc(N=C(c4ccccc4)c4ccccc4)cn23)sc(C(=O)O)c1OC(C)c1ccccc1Cl.

What is the InChIKey of 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid?

The InChIKey is SXVSGHQAMAIGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26ClN3O3S/c1-21-31(41-22(2)26-15-9-10-16-27(26)35)33(34(39)40)42-32(21)28-19-36-29-18-17-25(20-38(28)29)37-30(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-20,22H,1-2H3,(H,39,40).

What are the key properties of 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid?

5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid has a molecular weight of 592.12 g/mol, XLogP of 9.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 87396623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).