5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione

C22H19N3O4 — CID 51294095

IUPAC5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc3cccnc23)C1=O
InChIInChI=1S/C22H19N3O4/c1-22(11-14-7-8-17-18(10-14)29-13-28-17)20(26)25(21(27)24-22)12-16-5-2-4-15-6-3-9-23-19(15)16/h2-10H,11-13H2,1H3,(H,24,27)
InChIKeyDTTJJNBJPVPOOC-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.02
Rot. Bonds4

About 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione

5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione (PubChem CID 51294095) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione
PubChem CID51294095
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc3cccnc23)C1=O
InChIInChI=1S/C22H19N3O4/c1-22(11-14-7-8-17-18(10-14)29-13-28-17)20(26)25(21(27)24-22)12-16-5-2-4-15-6-3-9-23-19(15)16/h2-10H,11-13H2,1H3,(H,24,27)
InChIKeyDTTJJNBJPVPOOC-UHFFFAOYSA-N
XLogP3.02
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 8659273
4-[[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 8659248
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 8659250
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 86864145
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
3-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 31577649
(5R)-5-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8677214
2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 43013414
3-[2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 51951234
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 8659323
N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
CID 51306954
3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 42948966

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione (CID 51294095) is 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione is CC1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc3cccnc23)C1=O.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is DTTJJNBJPVPOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-22(11-14-7-8-17-18(10-14)29-13-28-17)20(26)25(21(27)24-22)12-16-5-2-4-15-6-3-9-23-19(15)16/h2-10H,11-13H2,1H3,(H,24,27).
What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione?
5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 389.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 51294095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).