6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline

C67H51Cl2N17 — CID 157346749

About 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline

6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline (PubChem CID 157346749) has the molecular formula C67H51Cl2N17 and a molecular weight of 1165.17 g/mol. Its IUPAC name is 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline.

Molecular Properties

• Compound Name: 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline
• PubChem CID: 157346749
• Molecular Formula: C67H51Cl2N17
• Molecular Weight: 1165.17 g/mol
• Exact Mass: 1163.39
• IUPAC Name: 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline
• SMILES: Clc1nc(Cl)nc(-c2cccn2Cc2ccccc2)n1.Nc1ccc(-c2cn3ccccc3n2)cc1.c1ccc(Cn2cccc2-c2nc(Nc3ccc(-c4cn5ccccc5n4)cc3)nc(Nc3ccc(-c4cn5ccccc5n4)cc3)n2)cc1
• InChI: InChI=1S/C40H30N10.C14H10Cl2N4.C13H11N3/c1-2-9-28(10-3-1)25-48-24-8-11-35(48)38-45-39(41-31-18-14-29(15-19-31)33-26-49-22-6-4-12-36(49)43-33)47-40(46-38)42-32-20-16-30(17-21-32)34-27-50-23-7-5-13-37(50)44-34;15-13-17-12(18-14(16)19-13)11-7-4-8-20(11)9-10-5-2-1-3-6-10;14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-24,26-27H,25H2,(H2,41,42,45,46,47);1-8H,9H2;1-9H,14H2
• InChIKey: BHBFQKIIAAVXJR-UHFFFAOYSA-N
• XLogP: 14.78
• TPSA: 189.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1165.17
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline?

The IUPAC name of 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline (CID 157346749) is 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline.

What is the SMILES notation for 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline?

The canonical SMILES for 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline is Clc1nc(Cl)nc(-c2cccn2Cc2ccccc2)n1.Nc1ccc(-c2cn3ccccc3n2)cc1.c1ccc(Cn2cccc2-c2nc(Nc3ccc(-c4cn5ccccc5n4)cc3)nc(Nc3ccc(-c4cn5ccccc5n4)cc3)n2)cc1.

What is the InChIKey of 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline?

The InChIKey is BHBFQKIIAAVXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N10.C14H10Cl2N4.C13H11N3/c1-2-9-28(10-3-1)25-48-24-8-11-35(48)38-45-39(41-31-18-14-29(15-19-31)33-26-49-22-6-4-12-36(49)43-33)47-40(46-38)42-32-20-16-30(17-21-32)34-27-50-23-7-5-13-37(50)44-34;15-13-17-12(18-14(16)19-13)11-7-4-8-20(11)9-10-5-2-1-3-6-10;14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-24,26-27H,25H2,(H2,41,42,45,46,47);1-8H,9H2;1-9H,14H2.

What are the key properties of 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline?

6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline has a molecular weight of 1165.17 g/mol, XLogP of 14.78, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-benzylpyrrol-2-yl)-2-N,4-N-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3,5-triazine-2,4-diamine;2-(1-benzylpyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;4-imidazo[1,2-a]pyridin-2-ylaniline is sourced from PubChem (CID 157346749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).