4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one

C22H23N3O — CID 58464061

IUPAC4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CCCC1
InChIInChI=1S/C22H23N3O/c1-24-20(19-9-5-6-10-19)16-25(22(24)26)21-14-13-18(15-23-21)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-15,19-20H,5-6,9-10,16H2,1H3
InChIKeyGTFBYEDJEHFGKP-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.91
Rot. Bonds2

About 4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one

4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 58464061) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID58464061
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CCCC1
InChIInChI=1S/C22H23N3O/c1-24-20(19-9-5-6-10-19)16-25(22(24)26)21-14-13-18(15-23-21)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-15,19-20H,5-6,9-10,16H2,1H3
InChIKeyGTFBYEDJEHFGKP-UHFFFAOYSA-N
XLogP3.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one (CID 58464061) is 4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one is CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is GTFBYEDJEHFGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-24-20(19-9-5-6-10-19)16-25(22(24)26)21-14-13-18(15-23-21)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-15,19-20H,5-6,9-10,16H2,1H3.
What are the key properties of 4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 345.45 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58464061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).