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

C20H19N3O — CID 58464083

IUPAC4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CC1
InChIInChI=1S/C20H19N3O/c1-22-18(17-10-11-17)14-23(20(22)24)19-12-9-16(13-21-19)8-7-15-5-3-2-4-6-15/h2-6,9,12-13,17-18H,10-11,14H2,1H3
InChIKeyNVTOYEYPMUMDHQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.13
Rot. Bonds2

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

4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 58464083) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID58464083
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CC1
InChIInChI=1S/C20H19N3O/c1-22-18(17-10-11-17)14-23(20(22)24)19-12-9-16(13-21-19)8-7-15-5-3-2-4-6-15/h2-6,9,12-13,17-18H,10-11,14H2,1H3
InChIKeyNVTOYEYPMUMDHQ-UHFFFAOYSA-N
XLogP3.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.13
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-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one (CID 58464083) is 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one is CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is NVTOYEYPMUMDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-22-18(17-10-11-17)14-23(20(22)24)19-12-9-16(13-21-19)8-7-15-5-3-2-4-6-15/h2-6,9,12-13,17-18H,10-11,14H2,1H3.
What are the key properties of 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58464083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).