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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Related Compounds

5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
CID 22997878
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
1-[2-(4-chlorophenyl)-5-hydroxy-3-(4-methylsulfonylphenyl)-4H-imidazol-5-yl]heptan-1-one
CID 22998051
2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10788846
4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide
CID 22997777
1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole
CID 22998023
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazole
CID 22661044
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
CID 22998229
2-(4-ethylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22998091
3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
CID 91872028

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).