2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole

C35H31N5OS2 — CID 57034417

About 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole

2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole (PubChem CID 57034417) has the molecular formula C35H31N5OS2 and a molecular weight of 601.80 g/mol. Its IUPAC name is 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole.

Molecular Properties

• Compound Name: 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole
• PubChem CID: 57034417
• Molecular Formula: C35H31N5OS2
• Molecular Weight: 601.80 g/mol
• Exact Mass: 601.20
• IUPAC Name: 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole
• SMILES: O=NC(CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
• InChI: InChI=1S/C35H31N5OS2/c41-40-29(21-23-42-34-36-30(25-13-5-1-6-14-25)31(37-34)26-15-7-2-8-16-26)22-24-43-35-38-32(27-17-9-3-10-18-27)33(39-35)28-19-11-4-12-20-28/h1-20,29H,21-24H2,(H,36,37)(H,38,39)
• InChIKey: KVDZGVPSEVRCPF-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 86.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.80
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole?

The IUPAC name of 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole (CID 57034417) is 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole.

What is the SMILES notation for 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole?

The canonical SMILES for 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole is O=NC(CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.

What is the InChIKey of 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole?

The InChIKey is KVDZGVPSEVRCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N5OS2/c41-40-29(21-23-42-34-36-30(25-13-5-1-6-14-25)31(37-34)26-15-7-2-8-16-26)22-24-43-35-38-32(27-17-9-3-10-18-27)33(39-35)28-19-11-4-12-20-28/h1-20,29H,21-24H2,(H,36,37)(H,38,39).

What are the key properties of 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole?

2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole has a molecular weight of 601.80 g/mol, XLogP of 9.60, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 57034417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).