4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole

C18H16Cl2N2S — CID 13116874

IUPAC4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole
SMILESC=CCSC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C18H16Cl2N2S/c1-2-11-23-18-21-16(12-3-7-14(19)8-4-12)17(22-18)13-5-9-15(20)10-6-13/h2-10,16-17H,1,11H2,(H,21,22)
InChIKeyCEDJEJUQSSWTEQ-UHFFFAOYSA-N
MW363.31 g/mol
LogP5.65
Rot. Bonds4

About 4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole

4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole (PubChem CID 13116874) has the molecular formula C18H16Cl2N2S and a molecular weight of 363.31 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole
PubChem CID13116874
Molecular FormulaC18H16Cl2N2S
Molecular Weight363.31 g/mol
Exact Mass362.04
IUPAC Name4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole
SMILESC=CCSC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C18H16Cl2N2S/c1-2-11-23-18-21-16(12-3-7-14(19)8-4-12)17(22-18)13-5-9-15(20)10-6-13/h2-10,16-17H,1,11H2,(H,21,22)
InChIKeyCEDJEJUQSSWTEQ-UHFFFAOYSA-N
XLogP5.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.31
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole (CID 13116874) is 4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole is C=CCSC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole?
The InChIKey is CEDJEJUQSSWTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2S/c1-2-11-23-18-21-16(12-3-7-14(19)8-4-12)17(22-18)13-5-9-15(20)10-6-13/h2-10,16-17H,1,11H2,(H,21,22).
What are the key properties of 4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole?
4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole has a molecular weight of 363.31 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 13116874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).