5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione

C16H14Cl2N3O2+ — CID 110187926

IUPAC5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc[n+](Cc3c(Cl)cccc3Cl)c2)NC(=O)NC1=O
InChIInChI=1S/C16H13Cl2N3O2/c1-16(14(22)19-15(23)20-16)10-4-3-7-21(8-10)9-11-12(17)5-2-6-13(11)18/h2-8H,9H2,1H3,(H-,19,20,22,23)/p+1
InChIKeyWCUUQVSNECJLCE-UHFFFAOYSA-O
MW351.21 g/mol
LogP2.38
Rot. Bonds3

About 5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione

5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 110187926) has the molecular formula C16H14Cl2N3O2+ and a molecular weight of 351.21 g/mol. Its IUPAC name is 5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione
PubChem CID110187926
Molecular FormulaC16H14Cl2N3O2+
Molecular Weight351.21 g/mol
Exact Mass350.05
IUPAC Name5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc[n+](Cc3c(Cl)cccc3Cl)c2)NC(=O)NC1=O
InChIInChI=1S/C16H13Cl2N3O2/c1-16(14(22)19-15(23)20-16)10-4-3-7-21(8-10)9-11-12(17)5-2-6-13(11)18/h2-8H,9H2,1H3,(H-,19,20,22,23)/p+1
InChIKeyWCUUQVSNECJLCE-UHFFFAOYSA-O
XLogP2.38
TPSA62.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

NTN33893-4-keto-urea
CID 122226815
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 15993317
2-chloro-N-(2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl)benzamide
CID 3598053
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 52949177
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437804
5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121437877
5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121449021
N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2101712
1-(2-chlorobenzyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2186482
N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3925192
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 24325234
5-[3-[4-(3-Chloro-4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437620

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione (CID 110187926) is 5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc[n+](Cc3c(Cl)cccc3Cl)c2)NC(=O)NC1=O.
What is the InChIKey of 5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is WCUUQVSNECJLCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-16(14(22)19-15(23)20-16)10-4-3-7-21(8-10)9-11-12(17)5-2-6-13(11)18/h2-8H,9H2,1H3,(H-,19,20,22,23)/p+1.
What are the key properties of 5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione?
5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 351.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 110187926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).