2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline

C23H22N4O — CID 163368568

About 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline

2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline (PubChem CID 163368568) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline.

Molecular Properties

• Compound Name: 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
• PubChem CID: 163368568
• Molecular Formula: C23H22N4O
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.18
• IUPAC Name: 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
• SMILES: [H]/N=C/c1cc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3c2)ccc1N
• InChI: InChI=1S/C23H22N4O/c1-15(2)28-20-7-3-16(4-8-20)22-13-26-23-10-6-18(14-27(22)23)17-5-9-21(25)19(11-17)12-24/h3-15,24H,25H2,1-2H3/b24-12+
• InChIKey: HVZBAAYOCBPSMM-WYMPLXKRSA-N
• XLogP: 5.04
• TPSA: 76.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline?

The IUPAC name of 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline (CID 163368568) is 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline.

What is the SMILES notation for 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline?

The canonical SMILES for 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline is [H]/N=C/c1cc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3c2)ccc1N.

What is the InChIKey of 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline?

The InChIKey is HVZBAAYOCBPSMM-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15(2)28-20-7-3-16(4-8-20)22-13-26-23-10-6-18(14-27(22)23)17-5-9-21(25)19(11-17)12-24/h3-15,24H,25H2,1-2H3/b24-12+.

What are the key properties of 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline?

2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline has a molecular weight of 370.46 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline is sourced from PubChem (CID 163368568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).