4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one

C12H23N3O — CID 138388779

IUPAC4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1CCCCC
InChIInChI=1S/C12H23N3O/c1-4-5-6-7-10-11(13)14-12(16)15(10)8-9(2)3/h9-10H,4-8H2,1-3H3,(H2,13,14,16)
InChIKeyMLHONVATIJMVRQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.59
Rot. Bonds6

About 4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one

4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one (PubChem CID 138388779) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one
PubChem CID138388779
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1CCCCC
InChIInChI=1S/C12H23N3O/c1-4-5-6-7-10-11(13)14-12(16)15(10)8-9(2)3/h9-10H,4-8H2,1-3H3,(H2,13,14,16)
InChIKeyMLHONVATIJMVRQ-UHFFFAOYSA-N
XLogP2.59
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.59
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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Related Compounds

1-ethyl-4-imino-5-pentylimidazolidin-2-one
CID 138389280
5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390237
4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one
CID 138388584
4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one
CID 138388889
4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one
CID 138388789
5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one
CID 138389162
5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one
CID 138388787
5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one
CID 138389691
5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one
CID 138389017
4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 138389199
4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one
CID 138388448
ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate
CID 138389539

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one?
The IUPAC name of 4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one (CID 138388779) is 4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one.
What is the SMILES notation for 4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one?
The canonical SMILES for 4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C1CCCCC.
What is the InChIKey of 4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one?
The InChIKey is MLHONVATIJMVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-5-6-7-10-11(13)14-12(16)15(10)8-9(2)3/h9-10H,4-8H2,1-3H3,(H2,13,14,16).
What are the key properties of 4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one?
4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one is sourced from PubChem (CID 138388779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).