2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole

C20H16Cl4N2O3 — CID 70590383

IUPAC2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole
SMILESCn1ccnc1C1(c2ccc(Cl)cc2Cl)OCC(COc2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C20H16Cl4N2O3/c1-26-7-6-25-19(26)20(15-4-2-12(21)8-16(15)23)28-11-14(29-20)10-27-18-5-3-13(22)9-17(18)24/h2-9,14H,10-11H2,1H3
InChIKeyRVEIMHDYORCZRP-UHFFFAOYSA-N
MW474.17 g/mol
LogP5.73
Rot. Bonds5

About 2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole

2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole (PubChem CID 70590383) has the molecular formula C20H16Cl4N2O3 and a molecular weight of 474.17 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole
PubChem CID70590383
Molecular FormulaC20H16Cl4N2O3
Molecular Weight474.17 g/mol
Exact Mass471.99
IUPAC Name2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole
SMILESCn1ccnc1C1(c2ccc(Cl)cc2Cl)OCC(COc2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C20H16Cl4N2O3/c1-26-7-6-25-19(26)20(15-4-2-12(21)8-16(15)23)28-11-14(29-20)10-27-18-5-3-13(22)9-17(18)24/h2-9,14H,10-11H2,1H3
InChIKeyRVEIMHDYORCZRP-UHFFFAOYSA-N
XLogP5.73
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.17
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[(2-bromo-4-methylphenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 70589136
1-[[(2S,4S)-2-(2,4-dichlorophenyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 54343351
1-[[4-[(3,5-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 70590204
1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole
CID 19911299
N-[2-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 12854786
4-chloro-2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]benzonitrile
CID 10706967
1-[4-[4-[5-(4-acetylpiperazin-1-yl)-2-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenoxy]phenyl]piperazin-1-yl]ethanone
CID 97161074
1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole;dihydrochloride
CID 70575721
(2R,4R)-4-[(4-chlorophenoxy)methyl]-1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 1253453
1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-N,N-dimethylethanamine
CID 70525383
1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-4-ium-1-yl]ethanone
CID 155640324
4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-3-methyl-1H-1,2,4-triazole-5-thione
CID 54516402

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole?
The IUPAC name of 2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole (CID 70590383) is 2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole?
The canonical SMILES for 2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole is Cn1ccnc1C1(c2ccc(Cl)cc2Cl)OCC(COc2ccc(Cl)cc2Cl)O1.
What is the InChIKey of 2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole?
The InChIKey is RVEIMHDYORCZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl4N2O3/c1-26-7-6-25-19(26)20(15-4-2-12(21)8-16(15)23)28-11-14(29-20)10-27-18-5-3-13(22)9-17(18)24/h2-9,14H,10-11H2,1H3.
What are the key properties of 2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole?
2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole has a molecular weight of 474.17 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole is sourced from PubChem (CID 70590383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).