2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one

C16H19ClN2O — CID 83253191

IUPAC2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one
SMILESO=C1CNC(c2cccc(Cl)c2)N1C(C1CC1)C1CC1
InChIInChI=1S/C16H19ClN2O/c17-13-3-1-2-12(8-13)16-18-9-14(20)19(16)15(10-4-5-10)11-6-7-11/h1-3,8,10-11,15-16,18H,4-7,9H2
InChIKeySUTPMRSKNJAGTE-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one

2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one (PubChem CID 83253191) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one
PubChem CID83253191
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one
SMILESO=C1CNC(c2cccc(Cl)c2)N1C(C1CC1)C1CC1
InChIInChI=1S/C16H19ClN2O/c17-13-3-1-2-12(8-13)16-18-9-14(20)19(16)15(10-4-5-10)11-6-7-11/h1-3,8,10-11,15-16,18H,4-7,9H2
InChIKeySUTPMRSKNJAGTE-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one (CID 83253191) is 2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one is O=C1CNC(c2cccc(Cl)c2)N1C(C1CC1)C1CC1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one?
The InChIKey is SUTPMRSKNJAGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-13-3-1-2-12(8-13)16-18-9-14(20)19(16)15(10-4-5-10)11-6-7-11/h1-3,8,10-11,15-16,18H,4-7,9H2.
What are the key properties of 2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one?
2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one has a molecular weight of 290.79 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83253191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).