4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one

C15H21N3O2 — CID 138389048

IUPAC4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H21N3O2/c1-4-9-18-14(19)17-13(16)15(18,2)10-11-5-7-12(20-3)8-6-11/h5-8H,4,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyDVRNBYBKJOHACC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.41
Rot. Bonds5

About 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one

4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one (PubChem CID 138389048) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one
PubChem CID138389048
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H21N3O2/c1-4-9-18-14(19)17-13(16)15(18,2)10-11-5-7-12(20-3)8-6-11/h5-8H,4,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyDVRNBYBKJOHACC-UHFFFAOYSA-N
XLogP2.41
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388652
5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 65444998
5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one
CID 138390848
5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine
CID 79509403
5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one
CID 138388683
4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one
CID 138391204
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
5-[(4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 54342646
6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64881075
4'-imino-1'-propylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2'-one
CID 138389056
6-bromo-4'-imino-1'-propylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391298
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138388762

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one?
The IUPAC name of 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one (CID 138389048) is 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one.
What is the SMILES notation for 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one?
The canonical SMILES for 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CCC)C1(C)Cc1ccc(OC)cc1.
What is the InChIKey of 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one?
The InChIKey is DVRNBYBKJOHACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-9-18-14(19)17-13(16)15(18,2)10-11-5-7-12(20-3)8-6-11/h5-8H,4,9-10H2,1-3H3,(H2,16,17,19).
What are the key properties of 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one?
4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one is sourced from PubChem (CID 138389048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).