5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole

C22H24Cl2N2O2S — CID 22130548

IUPAC5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole
SMILESCOc1ccc(COCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2C)cc1
InChIInChI=1S/C22H24Cl2N2O2S/c1-14(2)21-22(29-19-10-16(23)9-17(24)11-19)26(3)20(25-21)13-28-12-15-5-7-18(27-4)8-6-15/h5-11,14H,12-13H2,1-4H3
InChIKeyUZSATJVRPGPDAG-UHFFFAOYSA-N
MW451.42 g/mol
LogP6.73
Rot. Bonds8

About 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole

5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole (PubChem CID 22130548) has the molecular formula C22H24Cl2N2O2S and a molecular weight of 451.42 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole
PubChem CID22130548
Molecular FormulaC22H24Cl2N2O2S
Molecular Weight451.42 g/mol
Exact Mass450.09
IUPAC Name5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole
SMILESCOc1ccc(COCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2C)cc1
InChIInChI=1S/C22H24Cl2N2O2S/c1-14(2)21-22(29-19-10-16(23)9-17(24)11-19)26(3)20(25-21)13-28-12-15-5-7-18(27-4)8-6-15/h5-11,14H,12-13H2,1-4H3
InChIKeyUZSATJVRPGPDAG-UHFFFAOYSA-N
XLogP6.73
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.42
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole
CID 22130701
2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde
CID 54509160
5-[[5-(3,5-dichlorophenyl)sulfanyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]-2-methoxypyridine
CID 22130117
2-[2-(butoxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]ethanol
CID 71047725
2-[5-(3,5-dichlorophenyl)sulfanyl-2-(2-phenylmethoxyethyl)-4-propan-2-ylimidazol-1-yl]butanoic acid
CID 54473902
[4-[[5-(3,5-dichlorophenyl)sulfanyl-2-(formyloxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]phenoxy]methylphosphonic acid
CID 143072739
5-(3,5-dichlorophenyl)sulfanyl-2-[2-(1-hexoxycyclopentyl)oxyethyl]-1-methyl-4-propan-2-ylimidazole
CID 18792041
4-(3,5-dichlorophenyl)sulfanyl-1-methyl-5-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one
CID 10181538
2,4-bis[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]-2,4-dimethylpentan-3-one
CID 21147120
[6-[[5-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]-3-pyridinyl]oxymethylphosphonic acid
CID 142824276
1-ethyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-ylimidazole
CID 140978463
2-(azidomethyl)-1-benzyl-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazole
CID 22130113

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole?
The IUPAC name of 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole (CID 22130548) is 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole is COc1ccc(COCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2C)cc1.
What is the InChIKey of 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole?
The InChIKey is UZSATJVRPGPDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2S/c1-14(2)21-22(29-19-10-16(23)9-17(24)11-19)26(3)20(25-21)13-28-12-15-5-7-18(27-4)8-6-15/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole?
5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole has a molecular weight of 451.42 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole is sourced from PubChem (CID 22130548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).