1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one

C21H19N3O — CID 66576483

IUPAC1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one
SMILESO=C1N(c2ccc3ccccc3c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C21H19N3O/c25-21-23(18-8-7-15-3-1-2-4-17(15)13-18)11-12-24(21)20-14-22-10-9-19(20)16-5-6-16/h1-4,7-10,13-14,16H,5-6,11-12H2
InChIKeyCLXFWWUVAHRQGQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.56
Rot. Bonds3

About 1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one

1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one (PubChem CID 66576483) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one
PubChem CID66576483
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one
SMILESO=C1N(c2ccc3ccccc3c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C21H19N3O/c25-21-23(18-8-7-15-3-1-2-4-17(15)13-18)11-12-24(21)20-14-22-10-9-19(20)16-5-6-16/h1-4,7-10,13-14,16H,5-6,11-12H2
InChIKeyCLXFWWUVAHRQGQ-UHFFFAOYSA-N
XLogP4.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one?
The IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one (CID 66576483) is 1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one is O=C1N(c2ccc3ccccc3c2)CCN1c1cnccc1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one?
The InChIKey is CLXFWWUVAHRQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21-23(18-8-7-15-3-1-2-4-17(15)13-18)11-12-24(21)20-14-22-10-9-19(20)16-5-6-16/h1-4,7-10,13-14,16H,5-6,11-12H2.
What are the key properties of 1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one?
1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-pyridinyl)-3-naphthalen-2-ylimidazolidin-2-one is sourced from PubChem (CID 66576483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).