4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole

C24H22N4 — CID 78215114

IUPAC4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole
SMILESc1ccc(-c2nc(C3CNNC3c3ccccc3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4/c1-4-10-17(11-5-1)21-20(16-25-28-21)24-26-22(18-12-6-2-7-13-18)23(27-24)19-14-8-3-9-15-19/h1-15,20-21,25,28H,16H2,(H,26,27)
InChIKeyFCTAPYSXRYFIJX-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.68
Rot. Bonds4

About 4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole

4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole (PubChem CID 78215114) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole.

Molecular Properties

Compound Name4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole
PubChem CID78215114
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole
SMILESc1ccc(-c2nc(C3CNNC3c3ccccc3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4/c1-4-10-17(11-5-1)21-20(16-25-28-21)24-26-22(18-12-6-2-7-13-18)23(27-24)19-14-8-3-9-15-19/h1-15,20-21,25,28H,16H2,(H,26,27)
InChIKeyFCTAPYSXRYFIJX-UHFFFAOYSA-N
XLogP4.68
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole?
The IUPAC name of 4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole (CID 78215114) is 4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole.
What is the SMILES notation for 4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole?
The canonical SMILES for 4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole is c1ccc(-c2nc(C3CNNC3c3ccccc3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole?
The InChIKey is FCTAPYSXRYFIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-4-10-17(11-5-1)21-20(16-25-28-21)24-26-22(18-12-6-2-7-13-18)23(27-24)19-14-8-3-9-15-19/h1-15,20-21,25,28H,16H2,(H,26,27).
What are the key properties of 4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole?
4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole has a molecular weight of 366.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole is sourced from PubChem (CID 78215114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).