3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one

C25H34N2O2 — CID 142249762

IUPAC3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one
SMILESCCCN1CC(CCCc2ccc(OC)cc2)N(Cc2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C25H34N2O2/c1-5-15-26-18-23(8-6-7-21-11-13-24(29-4)14-12-21)27(25(26)28)17-22-10-9-19(2)20(3)16-22/h9-14,16,23H,5-8,15,17-18H2,1-4H3
InChIKeyLCHBCFDKOWSTTD-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.35
Rot. Bonds9

About 3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one

3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one (PubChem CID 142249762) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one
PubChem CID142249762
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one
SMILESCCCN1CC(CCCc2ccc(OC)cc2)N(Cc2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C25H34N2O2/c1-5-15-26-18-23(8-6-7-21-11-13-24(29-4)14-12-21)27(25(26)28)17-22-10-9-19(2)20(3)16-22/h9-14,16,23H,5-8,15,17-18H2,1-4H3
InChIKeyLCHBCFDKOWSTTD-UHFFFAOYSA-N
XLogP5.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one?
The IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one (CID 142249762) is 3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one is CCCN1CC(CCCc2ccc(OC)cc2)N(Cc2ccc(C)c(C)c2)C1=O.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one?
The InChIKey is LCHBCFDKOWSTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-5-15-26-18-23(8-6-7-21-11-13-24(29-4)14-12-21)27(25(26)28)17-22-10-9-19(2)20(3)16-22/h9-14,16,23H,5-8,15,17-18H2,1-4H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one?
3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one has a molecular weight of 394.56 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one is sourced from PubChem (CID 142249762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).