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

C16H23N3O2 — CID 138388652

IUPAC4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)10-19-15(20)18-14(17)16(19,3)9-12-5-7-13(21-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20)
InChIKeyYEZJHZFGJIXSLZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.65
Rot. Bonds5

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

4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one (PubChem CID 138388652) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
PubChem CID138388652
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)10-19-15(20)18-14(17)16(19,3)9-12-5-7-13(21-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20)
InChIKeyYEZJHZFGJIXSLZ-UHFFFAOYSA-N
XLogP2.65
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.65
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

US10343992, Example 190
CID 122590533
N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574699
N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51104075
1-[1-[2-(4-Methoxyphenyl)ethyl]piperidin-4-yl]-3-methylimidazolidin-2-one
CID 72142242
3-[2-(4-Methoxyphenyl)ethyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
CID 172434835
2-(4-methoxyphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238445
2-(4-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 50747174
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide
CID 134796167
1-Ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea
CID 47082413
5-Amino-5-[(4-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one
CID 68841692
5-[3-(4-Methoxyphenyl)propyl]-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 69833007
1-[(3,5-Difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one
CID 142249659

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one (CID 138388652) is 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one.
What is the SMILES notation for 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C1(C)Cc1ccc(OC)cc1.
What is the InChIKey of 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is YEZJHZFGJIXSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)10-19-15(20)18-14(17)16(19,3)9-12-5-7-13(21-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20).
What are the key properties of 4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one?
4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazolidin-2-one has a molecular weight of 289.38 g/mol, XLogP of 2.65, 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-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 138388652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).