2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole

C30H27ClN2O4S — CID 22998078

IUPAC2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole
SMILESCOc1ccc(C2(c3ccc(OC)cc3)CN(c3ccc(S(C)(=O)=O)cc3)C(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C30H27ClN2O4S/c1-36-26-14-6-22(7-15-26)30(23-8-16-27(37-2)17-9-23)20-33(25-12-18-28(19-13-25)38(3,34)35)29(32-30)21-4-10-24(31)11-5-21/h4-19H,20H2,1-3H3
InChIKeyUIVZTEFKDBFWRT-UHFFFAOYSA-N
MW547.08 g/mol
LogP5.97
Rot. Bonds7

About 2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole

2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole (PubChem CID 22998078) has the molecular formula C30H27ClN2O4S and a molecular weight of 547.08 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole
PubChem CID22998078
Molecular FormulaC30H27ClN2O4S
Molecular Weight547.08 g/mol
Exact Mass546.14
IUPAC Name2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole
SMILESCOc1ccc(C2(c3ccc(OC)cc3)CN(c3ccc(S(C)(=O)=O)cc3)C(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C30H27ClN2O4S/c1-36-26-14-6-22(7-15-26)30(23-8-16-27(37-2)17-9-23)20-33(25-12-18-28(19-13-25)38(3,34)35)29(32-30)21-4-10-24(31)11-5-21/h4-19H,20H2,1-3H3
InChIKeyUIVZTEFKDBFWRT-UHFFFAOYSA-N
XLogP5.97
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.08
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole?
The IUPAC name of 2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole (CID 22998078) is 2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole?
The canonical SMILES for 2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole is COc1ccc(C2(c3ccc(OC)cc3)CN(c3ccc(S(C)(=O)=O)cc3)C(c3ccc(Cl)cc3)=N2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole?
The InChIKey is UIVZTEFKDBFWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN2O4S/c1-36-26-14-6-22(7-15-26)30(23-8-16-27(37-2)17-9-23)20-33(25-12-18-28(19-13-25)38(3,34)35)29(32-30)21-4-10-24(31)11-5-21/h4-19H,20H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole?
2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole has a molecular weight of 547.08 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole is sourced from PubChem (CID 22998078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).