4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one

C15H21N3O3 — CID 138390991

IUPAC4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21N3O3/c1-10(2)21-12-6-4-11(5-7-12)13-14(16)17-15(19)18(13)8-9-20-3/h4-7,10,13H,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyFDCZAMLSNKBMOT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.16
Rot. Bonds6

About 4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one

4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one (PubChem CID 138390991) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one
PubChem CID138390991
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21N3O3/c1-10(2)21-12-6-4-11(5-7-12)13-14(16)17-15(19)18(13)8-9-20-3/h4-7,10,13H,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyFDCZAMLSNKBMOT-UHFFFAOYSA-N
XLogP2.16
TPSA74.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one
CID 138390169
5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one
CID 138390678
4-imino-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)imidazolidin-2-one
CID 138390235
5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390703
5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390315
5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138389790
4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one
CID 138388758
3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778813
1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one
CID 138389994
(5R)-5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 7530016
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108621207
(4Z)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(2-methoxyethyl)-5-phenylpyrrolidine-2,3-dione
CID 6238829

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one?
The IUPAC name of 4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one (CID 138390991) is 4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one?
The canonical SMILES for 4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CCOC)C1c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one?
The InChIKey is FDCZAMLSNKBMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)21-12-6-4-11(5-7-12)13-14(16)17-15(19)18(13)8-9-20-3/h4-7,10,13H,8-9H2,1-3H3,(H2,16,17,19).
What are the key properties of 4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one?
4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 138390991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).