3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

C20H19N3O3 — CID 17455085

IUPAC3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C(c1ccccc1CN1C(=O)CNC1=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H19N3O3/c24-18-11-21-20(26)23(18)13-16-7-3-4-8-17(16)19(25)22-10-9-14-5-1-2-6-15(14)12-22/h1-8H,9-13H2,(H,21,26)
InChIKeyIBGNCYMICXLCEL-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.94
Rot. Bonds3

About 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 17455085) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID17455085
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C(c1ccccc1CN1C(=O)CNC1=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H19N3O3/c24-18-11-21-20(26)23(18)13-16-7-3-4-8-17(16)19(25)22-10-9-14-5-1-2-6-15(14)12-22/h1-8H,9-13H2,(H,21,26)
InChIKeyIBGNCYMICXLCEL-UHFFFAOYSA-N
XLogP1.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 18135535
3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 27659652
N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 35052429
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
(2-oxo-2-piperidin-1-ylethyl) 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 18133845
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 24669491
[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 13041721
1,3,4,5-tetrahydro-2-benzazepin-2-yl-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 166191718
2-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoic acid
CID 43415517
3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62248301
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 71778344
(2E)-2-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylidene]-4-[(2-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 46374285

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (CID 17455085) is 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCc2ccccc2C1.
What is the InChIKey of 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is IBGNCYMICXLCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-18-11-21-20(26)23(18)13-16-7-3-4-8-17(16)19(25)22-10-9-14-5-1-2-6-15(14)12-22/h1-8H,9-13H2,(H,21,26).
What are the key properties of 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 17455085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).