1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one

C15H21N3O3 — CID 138390974

IUPAC1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(Cc2ccccc2)C1(C)CC(OC)OC
InChIInChI=1S/C15H21N3O3/c1-15(9-12(20-2)21-3)13(16)17-14(19)18(15)10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyPVWZKOHKARCKSD-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.96
Rot. Bonds6

About 1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one

1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one (PubChem CID 138390974) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one
PubChem CID138390974
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(Cc2ccccc2)C1(C)CC(OC)OC
InChIInChI=1S/C15H21N3O3/c1-15(9-12(20-2)21-3)13(16)17-14(19)18(15)10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyPVWZKOHKARCKSD-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138390340
1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one
CID 138390342
1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
CID 138391184
4-amino-1-benzyl-5-(2,2-dimethoxyethyl)-5-methylimidazol-2-one
CID 79972959
4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one
CID 138388722
1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391010
1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138390897
1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione
CID 163217166
5-ethyl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388406
4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one
CID 138389048
5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one
CID 138390268
5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one
CID 138390505

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one?
The IUPAC name of 1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one (CID 138390974) is 1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one.
What is the SMILES notation for 1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one?
The canonical SMILES for 1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one is [H]/N=C1\NC(=O)N(Cc2ccccc2)C1(C)CC(OC)OC.
What is the InChIKey of 1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one?
The InChIKey is PVWZKOHKARCKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(9-12(20-2)21-3)13(16)17-14(19)18(15)10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one?
1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one is sourced from PubChem (CID 138390974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).