1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one

C16H23N3O — CID 138391184

IUPAC1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(Cc2ccccc2)C1(C)CCCCC
InChIInChI=1S/C16H23N3O/c1-3-4-8-11-16(2)14(17)18-15(20)19(16)12-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H2,17,18,20)
InChIKeyLEGZETXLIOZHGV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.53
Rot. Bonds6

About 1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one

1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one (PubChem CID 138391184) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
PubChem CID138391184
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(Cc2ccccc2)C1(C)CCCCC
InChIInChI=1S/C16H23N3O/c1-3-4-8-11-16(2)14(17)18-15(20)19(16)12-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H2,17,18,20)
InChIKeyLEGZETXLIOZHGV-UHFFFAOYSA-N
XLogP3.53
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one?
The IUPAC name of 1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one (CID 138391184) is 1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one.
What is the SMILES notation for 1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one?
The canonical SMILES for 1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one is [H]/N=C1\NC(=O)N(Cc2ccccc2)C1(C)CCCCC.
What is the InChIKey of 1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one?
The InChIKey is LEGZETXLIOZHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-4-8-11-16(2)14(17)18-15(20)19(16)12-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one?
1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one is sourced from PubChem (CID 138391184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).