(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione

C19H17ClN2O5 — CID 7691911

IUPAC(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccccc2Cl)C1=O
InChIInChI=1S/C19H17ClN2O5/c1-19(12-6-7-15-16(10-12)27-11-26-15)17(23)22(18(24)21-19)8-9-25-14-5-3-2-4-13(14)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeySBODRHKIAMRCEU-LJQANCHMSA-N
MW388.81 g/mol
LogP2.91
Rot. Bonds5

About (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7691911) has the molecular formula C19H17ClN2O5 and a molecular weight of 388.81 g/mol. Its IUPAC name is (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID7691911
Molecular FormulaC19H17ClN2O5
Molecular Weight388.81 g/mol
Exact Mass388.08
IUPAC Name(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccccc2Cl)C1=O
InChIInChI=1S/C19H17ClN2O5/c1-19(12-6-7-15-16(10-12)27-11-26-15)17(23)22(18(24)21-19)8-9-25-14-5-3-2-4-13(14)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeySBODRHKIAMRCEU-LJQANCHMSA-N
XLogP2.91
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 52.91
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

5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42976785
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 7692061
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7483865
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
5-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17400223
5-(1,3-benzodioxol-5-yl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17450276
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 75401896
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 2571204
3-[(2,6-dichlorophenyl)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 4780986

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione (CID 7691911) is (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccccc2Cl)C1=O.
What is the InChIKey of (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is SBODRHKIAMRCEU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17ClN2O5/c1-19(12-6-7-15-16(10-12)27-11-26-15)17(23)22(18(24)21-19)8-9-25-14-5-3-2-4-13(14)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)/t19-/m1/s1.
What are the key properties of (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 388.81 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7691911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).