1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one

C14H19N3O — CID 138390342

IUPAC1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(Cc2ccccc2)C1(C)C(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)14(3)12(15)16-13(18)17(14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,15,16,18)
InChIKeyBPAHJTLFMVFLRL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.60
Rot. Bonds3

About 1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one

1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one (PubChem CID 138390342) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one
PubChem CID138390342
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(Cc2ccccc2)C1(C)C(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)14(3)12(15)16-13(18)17(14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,15,16,18)
InChIKeyBPAHJTLFMVFLRL-UHFFFAOYSA-N
XLogP2.60
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.60
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

1-benzyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138390340
1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one
CID 138390974
1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
CID 138391184
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
4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one
CID 138388722
9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one
CID 138390922
5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one
CID 138388444
1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873607
5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388328
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-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one (CID 138390342) is 1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one is [H]/N=C1\NC(=O)N(Cc2ccccc2)C1(C)C(C)C.
What is the InChIKey of 1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one?
The InChIKey is BPAHJTLFMVFLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)14(3)12(15)16-13(18)17(14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one?
1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.60, 3 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-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 138390342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).