2,5-bis(phenylsulfanyl)-1H-imidazole

C15H12N2S2 — CID 12840611

IUPAC2,5-bis(phenylsulfanyl)-1H-imidazole
SMILESc1ccc(Sc2cnc(Sc3ccccc3)[nH]2)cc1
InChIInChI=1S/C15H12N2S2/c1-3-7-12(8-4-1)18-14-11-16-15(17-14)19-13-9-5-2-6-10-13/h1-11H,(H,16,17)
InChIKeyWQBCPMITODPVLW-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.71
Rot. Bonds4

About 2,5-bis(phenylsulfanyl)-1H-imidazole

2,5-bis(phenylsulfanyl)-1H-imidazole (PubChem CID 12840611) has the molecular formula C15H12N2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2,5-bis(phenylsulfanyl)-1H-imidazole.

Molecular Properties

Compound Name2,5-bis(phenylsulfanyl)-1H-imidazole
PubChem CID12840611
Molecular FormulaC15H12N2S2
Molecular Weight284.41 g/mol
Exact Mass284.04
IUPAC Name2,5-bis(phenylsulfanyl)-1H-imidazole
SMILESc1ccc(Sc2cnc(Sc3ccccc3)[nH]2)cc1
InChIInChI=1S/C15H12N2S2/c1-3-7-12(8-4-1)18-14-11-16-15(17-14)19-13-9-5-2-6-10-13/h1-11H,(H,16,17)
InChIKeyWQBCPMITODPVLW-UHFFFAOYSA-N
XLogP4.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(phenylsulfanyl)-1H-imidazole?
The IUPAC name of 2,5-bis(phenylsulfanyl)-1H-imidazole (CID 12840611) is 2,5-bis(phenylsulfanyl)-1H-imidazole.
What is the SMILES notation for 2,5-bis(phenylsulfanyl)-1H-imidazole?
The canonical SMILES for 2,5-bis(phenylsulfanyl)-1H-imidazole is c1ccc(Sc2cnc(Sc3ccccc3)[nH]2)cc1.
What is the InChIKey of 2,5-bis(phenylsulfanyl)-1H-imidazole?
The InChIKey is WQBCPMITODPVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S2/c1-3-7-12(8-4-1)18-14-11-16-15(17-14)19-13-9-5-2-6-10-13/h1-11H,(H,16,17).
What are the key properties of 2,5-bis(phenylsulfanyl)-1H-imidazole?
2,5-bis(phenylsulfanyl)-1H-imidazole has a molecular weight of 284.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(phenylsulfanyl)-1H-imidazole is sourced from PubChem (CID 12840611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).