5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one

C8H13N3O — CID 139655197

IUPAC5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\C(=C)NC(=O)N1CC(C)C
InChIInChI=1S/C8H13N3O/c1-5(2)4-11-7(9)6(3)10-8(11)12/h5,9H,3-4H2,1-2H3,(H,10,12)/b9-7+
InChIKeyHLSVXKVQJYMKFQ-VQHVLOKHSA-N
MW167.21 g/mol
LogP1.16
Rot. Bonds2

About 5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one

5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one (PubChem CID 139655197) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one
PubChem CID139655197
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\C(=C)NC(=O)N1CC(C)C
InChIInChI=1S/C8H13N3O/c1-5(2)4-11-7(9)6(3)10-8(11)12/h5,9H,3-4H2,1-2H3,(H,10,12)/b9-7+
InChIKeyHLSVXKVQJYMKFQ-VQHVLOKHSA-N
XLogP1.16
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Imino-4-methylidene-1-(2-methylprop-1-enyl)imidazolidin-2-one
CID 20067644
5-Imino-1-methyl-4-methylideneimidazolidin-2-one
CID 20067646
4-Imino-1,3-dimethyl-5-methylideneimidazolidin-2-one
CID 20067649
5-Imino-4-methylidene-1-propylimidazolidin-2-one
CID 21653363
1-(2,2-Dimethylpropyl)-5-imino-4-methylideneimidazolidin-2-one
CID 53881706
1-Hexyl-4-imino-5-methylideneimidazolidin-2-one
CID 140355103
4-Imino-5-methylidene-1-prop-2-enylimidazolidin-2-one
CID 140355104
4-Imino-5-methylidene-1-propan-2-ylimidazolidin-2-one
CID 140355110
4-Imino-1-methyl-5-methylideneimidazolidin-2-one
CID 140355111
1-Cyclopropyl-4-imino-5-methylideneimidazolidin-2-one
CID 141557771
(5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one
CID 170184147
N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide
CID 173481613

Frequently Asked Questions

What is the IUPAC name of 5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one (CID 139655197) is 5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one.
What is the SMILES notation for 5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one is [H]/N=C1\C(=C)NC(=O)N1CC(C)C.
What is the InChIKey of 5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is HLSVXKVQJYMKFQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)4-11-7(9)6(3)10-8(11)12/h5,9H,3-4H2,1-2H3,(H,10,12)/b9-7+.
What are the key properties of 5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one?
5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 139655197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).