(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione

C19H16Cl2N2O4 — CID 8659273

IUPAC(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H16Cl2N2O4/c1-19(8-11-2-5-15-16(6-11)27-10-26-15)17(24)23(18(25)22-19)9-12-3-4-13(20)7-14(12)21/h2-7H,8-10H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyKAGWYIAVVMDMCP-IBGZPJMESA-N
MW407.25 g/mol
LogP3.78
Rot. Bonds4

About (5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 8659273) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is (5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID8659273
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC Name(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H16Cl2N2O4/c1-19(8-11-2-5-15-16(6-11)27-10-26-15)17(24)23(18(25)22-19)9-12-3-4-13(20)7-14(12)21/h2-7H,8-10H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyKAGWYIAVVMDMCP-IBGZPJMESA-N
XLogP3.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.78
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

N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622634
2-(4-(Benzo[d][1,3]dioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-(cyclohex-1-en-1-yl)ethyl)acetamide
CID 3000065
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4783488
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4882264
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
CID 2578376
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 16271826
5-(1,3-Benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 16322010
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2125664
3-[2-(1,3-Benzodioxol-5-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 18777118
N-[2-[(2,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 24686113
3-[2-(1,3-Benzodioxol-5-yl)-2-oxoethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24687590
1-[2-(2,4-dichlorophenyl)acetyl]-2-methyl-N-piperonyl-azetidine-2-carboxamide
CID 46948700

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 8659273) is (5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione is C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of (5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is KAGWYIAVVMDMCP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c1-19(8-11-2-5-15-16(6-11)27-10-26-15)17(24)23(18(25)22-19)9-12-3-4-13(20)7-14(12)21/h2-7H,8-10H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 407.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 8659273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).