1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

C23H27N3O2 — CID 3161619

IUPAC1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(c2nc3ccccc3n2CCOc2ccccc2)CC1=O
InChIInChI=1S/C23H27N3O2/c1-23(2,3)26-16-17(15-21(26)27)22-24-19-11-7-8-12-20(19)25(22)13-14-28-18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3
InChIKeyHUAYUHRFIFHKPP-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.23
Rot. Bonds5

About 1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 3161619) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID3161619
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(c2nc3ccccc3n2CCOc2ccccc2)CC1=O
InChIInChI=1S/C23H27N3O2/c1-23(2,3)26-16-17(15-21(26)27)22-24-19-11-7-8-12-20(19)25(22)13-14-28-18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3
InChIKeyHUAYUHRFIFHKPP-UHFFFAOYSA-N
XLogP4.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 3161619) is 1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is CC(C)(C)N1CC(c2nc3ccccc3n2CCOc2ccccc2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is HUAYUHRFIFHKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-23(2,3)26-16-17(15-21(26)27)22-24-19-11-7-8-12-20(19)25(22)13-14-28-18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 3161619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).