8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen

C24H15BrCl4N8O2S2 — CID 159045357

About 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen

8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen (PubChem CID 159045357) has the molecular formula C24H15BrCl4N8O2S2 and a molecular weight of 733.29 g/mol. Its IUPAC name is 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen.

Molecular Properties

• Compound Name: 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen
• PubChem CID: 159045357
• Molecular Formula: C24H15BrCl4N8O2S2
• Molecular Weight: 733.29 g/mol
• Exact Mass: 729.87
• IUPAC Name: 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen
• SMILES: N#N.O=c1[nH]cc(Br)c2nccn12.O=c1[nH]cc(Sc2cccc(Cl)c2Cl)c2nccn12.Sc1cccc(Cl)c1Cl
• InChI: InChI=1S/C12H7Cl2N3OS.C6H4BrN3O.C6H4Cl2S.N2/c13-7-2-1-3-8(10(7)14)19-9-6-16-12(18)17-5-4-15-11(9)17;7-4-3-9-6(11)10-2-1-8-5(4)10;7-4-2-1-3-5(9)6(4)8;1-2/h1-6H,(H,16,18);1-3H,(H,9,11);1-3,9H
• InChIKey: JWOTYLGNTQKLEY-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 147.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.29
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen?

The IUPAC name of 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen (CID 159045357) is 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen.

What is the SMILES notation for 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen?

The canonical SMILES for 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen is N#N.O=c1[nH]cc(Br)c2nccn12.O=c1[nH]cc(Sc2cccc(Cl)c2Cl)c2nccn12.Sc1cccc(Cl)c1Cl.

What is the InChIKey of 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen?

The InChIKey is JWOTYLGNTQKLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3OS.C6H4BrN3O.C6H4Cl2S.N2/c13-7-2-1-3-8(10(7)14)19-9-6-16-12(18)17-5-4-15-11(9)17;7-4-3-9-6(11)10-2-1-8-5(4)10;7-4-2-1-3-5(9)6(4)8;1-2/h1-6H,(H,16,18);1-3H,(H,9,11);1-3,9H;.

What are the key properties of 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen?

8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen has a molecular weight of 733.29 g/mol, XLogP of 7.58, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen is sourced from PubChem (CID 159045357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).