2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

C34H23N5S — CID 153285439

About 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (PubChem CID 153285439) has the molecular formula C34H23N5S and a molecular weight of 533.66 g/mol. Its IUPAC name is 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
• PubChem CID: 153285439
• Molecular Formula: C34H23N5S
• Molecular Weight: 533.66 g/mol
• Exact Mass: 533.17
• IUPAC Name: 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
• SMILES: Cn1ccnc1-c1cc(-c2nc3ccccc3s2)cc2c1c1ccccc1n2-c1cccc(-c2ccccn2)c1
• InChI: InChI=1S/C34H23N5S/c1-38-18-17-36-33(38)26-20-23(34-37-28-13-3-5-15-31(28)40-34)21-30-32(26)25-11-2-4-14-29(25)39(30)24-10-8-9-22(19-24)27-12-6-7-16-35-27/h2-21H,1H3
• InChIKey: RWEYQQULWNBFBL-UHFFFAOYSA-N
• XLogP: 8.52
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.66
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?

The IUPAC name of 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (CID 153285439) is 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

What is the SMILES notation for 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?

The canonical SMILES for 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is Cn1ccnc1-c1cc(-c2nc3ccccc3s2)cc2c1c1ccccc1n2-c1cccc(-c2ccccn2)c1.

What is the InChIKey of 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?

The InChIKey is RWEYQQULWNBFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N5S/c1-38-18-17-36-33(38)26-20-23(34-37-28-13-3-5-15-31(28)40-34)21-30-32(26)25-11-2-4-14-29(25)39(30)24-10-8-9-22(19-24)27-12-6-7-16-35-27/h2-21H,1H3.

What are the key properties of 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?

2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 533.66 g/mol, XLogP of 8.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 153285439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).