5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole

C17H22Cl2N2S — CID 54181215

IUPAC5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole
SMILESCCCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1CC
InChIInChI=1S/C17H22Cl2N2S/c1-5-7-15-20-16(11(3)4)17(21(15)6-2)22-14-9-12(18)8-13(19)10-14/h8-11H,5-7H2,1-4H3
InChIKeyQJXYCZWVUPWDGG-UHFFFAOYSA-N
MW357.35 g/mol
LogP6.44
Rot. Bonds6

About 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole

5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole (PubChem CID 54181215) has the molecular formula C17H22Cl2N2S and a molecular weight of 357.35 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole
PubChem CID54181215
Molecular FormulaC17H22Cl2N2S
Molecular Weight357.35 g/mol
Exact Mass356.09
IUPAC Name5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole
SMILESCCCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1CC
InChIInChI=1S/C17H22Cl2N2S/c1-5-7-15-20-16(11(3)4)17(21(15)6-2)22-14-9-12(18)8-13(19)10-14/h8-11H,5-7H2,1-4H3
InChIKeyQJXYCZWVUPWDGG-UHFFFAOYSA-N
XLogP6.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.35
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole?
The IUPAC name of 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole (CID 54181215) is 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole is CCCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1CC.
What is the InChIKey of 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole?
The InChIKey is QJXYCZWVUPWDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2S/c1-5-7-15-20-16(11(3)4)17(21(15)6-2)22-14-9-12(18)8-13(19)10-14/h8-11H,5-7H2,1-4H3.
What are the key properties of 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole?
5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole has a molecular weight of 357.35 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-yl-2-propylimidazole is sourced from PubChem (CID 54181215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).