3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one

C17H24N2O2 — CID 83247730

IUPAC3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc(OC)cc2)N(CC2CC2)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-4-15-17(20)19(11-12-5-6-12)16(18-15)13-7-9-14(21-2)10-8-13/h7-10,12,15-16,18H,3-6,11H2,1-2H3
InChIKeyAVPUOKWCZCWSPN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.70
Rot. Bonds6

About 3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one

3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one (PubChem CID 83247730) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one
PubChem CID83247730
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc(OC)cc2)N(CC2CC2)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-4-15-17(20)19(11-12-5-6-12)16(18-15)13-7-9-14(21-2)10-8-13/h7-10,12,15-16,18H,3-6,11H2,1-2H3
InChIKeyAVPUOKWCZCWSPN-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one (CID 83247730) is 3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one is CCCC1NC(c2ccc(OC)cc2)N(CC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one?
The InChIKey is AVPUOKWCZCWSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-4-15-17(20)19(11-12-5-6-12)16(18-15)13-7-9-14(21-2)10-8-13/h7-10,12,15-16,18H,3-6,11H2,1-2H3.
What are the key properties of 3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one?
3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one has a molecular weight of 288.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83247730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).