5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole

C24H26Cl2N2O2S — CID 22130701

IUPAC5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole
SMILESC=CCn1c(COCc2ccc(OC)cc2)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H26Cl2N2O2S/c1-5-10-28-22(15-30-14-17-6-8-20(29-4)9-7-17)27-23(16(2)3)24(28)31-21-12-18(25)11-19(26)13-21/h5-9,11-13,16H,1,10,14-15H2,2-4H3
InChIKeyOBSZXOHXJWKPDT-UHFFFAOYSA-N
MW477.46 g/mol
LogP7.38
Rot. Bonds10

About 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole

5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole (PubChem CID 22130701) has the molecular formula C24H26Cl2N2O2S and a molecular weight of 477.46 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole
PubChem CID22130701
Molecular FormulaC24H26Cl2N2O2S
Molecular Weight477.46 g/mol
Exact Mass476.11
IUPAC Name5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole
SMILESC=CCn1c(COCc2ccc(OC)cc2)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H26Cl2N2O2S/c1-5-10-28-22(15-30-14-17-6-8-20(29-4)9-7-17)27-23(16(2)3)24(28)31-21-12-18(25)11-19(26)13-21/h5-9,11-13,16H,1,10,14-15H2,2-4H3
InChIKeyOBSZXOHXJWKPDT-UHFFFAOYSA-N
XLogP7.38
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.46
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole
CID 22130548
2-[2-(butoxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]ethanol
CID 71047725
[4-[[5-(3,5-dichlorophenyl)sulfanyl-2-(formyloxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]phenoxy]methylphosphonic acid
CID 143072739
2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde
CID 54509160
[6-[[5-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]-3-pyridinyl]oxymethylphosphonic acid
CID 142824276
2-(azidomethyl)-1-benzyl-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazole
CID 22130113
ethyl 2-[[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]phenoxy]methyl-phenoxyphosphoryl]oxyacetate
CID 58962123
2-[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethanol
CID 22130167
5-(3,5-dichlorophenyl)sulfanyl-1-propan-2-yl-3-prop-2-enyl-4-(pyridin-4-ylmethyl)imidazol-2-one
CID 10296590
1-ethyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-ylimidazole
CID 140978463
2-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methoxy]ethyl carbamate
CID 22130388
2-[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl acetate
CID 22130544

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole?
The IUPAC name of 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole (CID 22130701) is 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole is C=CCn1c(COCc2ccc(OC)cc2)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole?
The InChIKey is OBSZXOHXJWKPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O2S/c1-5-10-28-22(15-30-14-17-6-8-20(29-4)9-7-17)27-23(16(2)3)24(28)31-21-12-18(25)11-19(26)13-21/h5-9,11-13,16H,1,10,14-15H2,2-4H3.
What are the key properties of 5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole?
5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-yl-1-prop-2-enylimidazole has a molecular weight of 477.46 g/mol, XLogP of 7.38, 10 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]-4-propan-2-yl-1-prop-2-enylimidazole is sourced from PubChem (CID 22130701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).