4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one

C27H25N3O — CID 86170483

IUPAC4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one
SMILESCC1(c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CNC(=O)C1
InChIInChI=1S/C27H25N3O/c1-26(17-25(31)28-19-26)24-18-30(20-29-24)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,20H,17,19H2,1H3,(H,28,31)
InChIKeyKPGIOHGPILEUGL-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.50
Rot. Bonds5

About 4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one

4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one (PubChem CID 86170483) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one
PubChem CID86170483
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one
SMILESCC1(c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CNC(=O)C1
InChIInChI=1S/C27H25N3O/c1-26(17-25(31)28-19-26)24-18-30(20-29-24)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,20H,17,19H2,1H3,(H,28,31)
InChIKeyKPGIOHGPILEUGL-UHFFFAOYSA-N
XLogP4.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one (CID 86170483) is 4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one is CC1(c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CNC(=O)C1.
What is the InChIKey of 4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one?
The InChIKey is KPGIOHGPILEUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-26(17-25(31)28-19-26)24-18-30(20-29-24)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,20H,17,19H2,1H3,(H,28,31).
What are the key properties of 4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one?
4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one has a molecular weight of 407.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(1-tritylimidazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 86170483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).