3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C15H16Cl2N2O3 — CID 18171161

IUPAC3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CC3CC3(Cl)Cl)C2=O)cc1
InChIInChI=1S/C15H16Cl2N2O3/c1-14(9-3-5-11(22-2)6-4-9)12(20)19(13(21)18-14)8-10-7-15(10,16)17/h3-6,10H,7-8H2,1-2H3,(H,18,21)
InChIKeyXDCIRBOQXRRTRG-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.66
Rot. Bonds4

About 3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 18171161) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is 3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID18171161
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Name3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CC3CC3(Cl)Cl)C2=O)cc1
InChIInChI=1S/C15H16Cl2N2O3/c1-14(9-3-5-11(22-2)6-4-9)12(20)19(13(21)18-14)8-10-7-15(10,16)17/h3-6,10H,7-8H2,1-2H3,(H,18,21)
InChIKeyXDCIRBOQXRRTRG-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
3-[(2,2-dichlorocyclopropyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 43022994
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
(5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 30343761
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
(5R)-3-[3-(4-methoxyphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 38853269
N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46560966
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 155531209
3-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42982762
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile
CID 49063610
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 18171161) is 3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(CC3CC3(Cl)Cl)C2=O)cc1.
What is the InChIKey of 3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is XDCIRBOQXRRTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3/c1-14(9-3-5-11(22-2)6-4-9)12(20)19(13(21)18-14)8-10-7-15(10,16)17/h3-6,10H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 343.21 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18171161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).