5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole

C25H25N5S — CID 57187363

IUPAC5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole
SMILESc1ccc(-c2nc(SCCCCCn3ccc4nccn43)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C25H25N5S/c1-4-10-20(11-5-1)23-24(21-12-6-2-7-13-21)28-25(27-23)31-19-9-3-8-16-29-17-14-22-26-15-18-30(22)29/h1-2,4-7,10-15,17-18H,3,8-9,16,19H2,(H,27,28)
InChIKeyZBZZJSCUCNEIGH-UHFFFAOYSA-N
MW427.58 g/mol
LogP6.16
Rot. Bonds9

About 5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole

5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole (PubChem CID 57187363) has the molecular formula C25H25N5S and a molecular weight of 427.58 g/mol. Its IUPAC name is 5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole.

Molecular Properties

Compound Name5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole
PubChem CID57187363
Molecular FormulaC25H25N5S
Molecular Weight427.58 g/mol
Exact Mass427.18
IUPAC Name5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole
SMILESc1ccc(-c2nc(SCCCCCn3ccc4nccn43)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C25H25N5S/c1-4-10-20(11-5-1)23-24(21-12-6-2-7-13-21)28-25(27-23)31-19-9-3-8-16-29-17-14-22-26-15-18-30(22)29/h1-2,4-7,10-15,17-18H,3,8-9,16,19H2,(H,27,28)
InChIKeyZBZZJSCUCNEIGH-UHFFFAOYSA-N
XLogP6.16
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.58
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole?
The IUPAC name of 5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole (CID 57187363) is 5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole.
What is the SMILES notation for 5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole?
The canonical SMILES for 5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole is c1ccc(-c2nc(SCCCCCn3ccc4nccn43)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole?
The InChIKey is ZBZZJSCUCNEIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5S/c1-4-10-20(11-5-1)23-24(21-12-6-2-7-13-21)28-25(27-23)31-19-9-3-8-16-29-17-14-22-26-15-18-30(22)29/h1-2,4-7,10-15,17-18H,3,8-9,16,19H2,(H,27,28).
What are the key properties of 5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole?
5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole has a molecular weight of 427.58 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole is sourced from PubChem (CID 57187363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).