4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one

C22H23N3O — CID 45232139

IUPAC4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CC1=O
InChIInChI=1S/C22H23N3O/c1-15(2)25-14-18(13-19(25)26)22-23-20(16-9-5-3-6-10-16)21(24-22)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,23,24)
InChIKeyPUFPJOYUFOPUSY-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.47
Rot. Bonds4

About 4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one

4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 45232139) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID45232139
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CC1=O
InChIInChI=1S/C22H23N3O/c1-15(2)25-14-18(13-19(25)26)22-23-20(16-9-5-3-6-10-16)21(24-22)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,23,24)
InChIKeyPUFPJOYUFOPUSY-UHFFFAOYSA-N
XLogP4.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one (CID 45232139) is 4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CC1=O.
What is the InChIKey of 4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is PUFPJOYUFOPUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15(2)25-14-18(13-19(25)26)22-23-20(16-9-5-3-6-10-16)21(24-22)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,23,24).
What are the key properties of 4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one?
4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 345.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 45232139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).