3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C20H20N4O2 — CID 22466842

IUPAC3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)NC(=O)N(CCCn2ccnc2)C1=O
InChIInChI=1S/C20H20N4O2/c1-20(17-9-4-7-15-6-2-3-8-16(15)17)18(25)24(19(26)22-20)12-5-11-23-13-10-21-14-23/h2-4,6-10,13-14H,5,11-12H2,1H3,(H,22,26)
InChIKeyVESCLSDOPNDLRS-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.89
Rot. Bonds5

About 3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 22466842) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID22466842
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)NC(=O)N(CCCn2ccnc2)C1=O
InChIInChI=1S/C20H20N4O2/c1-20(17-9-4-7-15-6-2-3-8-16(15)17)18(25)24(19(26)22-20)12-5-11-23-13-10-21-14-23/h2-4,6-10,13-14H,5,11-12H2,1H3,(H,22,26)
InChIKeyVESCLSDOPNDLRS-UHFFFAOYSA-N
XLogP2.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)-2-(methylthio)benzonitrile
CID 15949567
3-(3-(1H-imidazol-1-yl)propyl)-1-(4-(methylthiomethyl)benzyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466804
3-(3-(1H-imidazol-1-yl)propyl)-1-(4-(methylthio)benzyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466823
4-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzonitrile
CID 22466836
N-(2-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzyl)methanesulfonamide
CID 22466855
3-(3-(1H-imidazol-1-yl)propyl)-1-(4-bromobenzyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466875
N-(4-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzyl)methanesulfonamide
CID 22466880
3-(3-(1H-imidazol-1-yl)propyl)-1-(3-bromobenzyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466886
3-(3-(1H-imidazol-1-yl)propyl)-1-(3-chlorobenzyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466891
3-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzonitrile
CID 22466895
ethyl 2-(3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)acetate
CID 44409766
3-(3-(1H-imidazol-1-yl)propyl)-1-(4-(methylsulfonyl)benzyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466825

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 22466842) is 3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is CC1(c2cccc3ccccc23)NC(=O)N(CCCn2ccnc2)C1=O.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is VESCLSDOPNDLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-20(17-9-4-7-15-6-2-3-8-16(15)17)18(25)24(19(26)22-20)12-5-11-23-13-10-21-14-23/h2-4,6-10,13-14H,5,11-12H2,1H3,(H,22,26).
What are the key properties of 3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 348.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 22466842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).