1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one

C35H31Cl2N5O4S — CID 123733389

About 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one

1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one (PubChem CID 123733389) has the molecular formula C35H31Cl2N5O4S and a molecular weight of 688.64 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one
• PubChem CID: 123733389
• Molecular Formula: C35H31Cl2N5O4S
• Molecular Weight: 688.64 g/mol
• Exact Mass: 687.15
• IUPAC Name: 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one
• SMILES: O=c1cc(-c2ccc(Cc3nc(-c4ccc(Cl)cc4Cl)cn3-c3ccc(N4C=C(O)NS4(=O)=O)cc3)cc2)ccn1C1CCCCC1
• InChI: InChI=1S/C35H31Cl2N5O4S/c36-26-10-15-30(31(37)20-26)32-21-41(28-11-13-29(14-12-28)42-22-34(43)39-47(42,45)46)33(38-32)18-23-6-8-24(9-7-23)25-16-17-40(35(44)19-25)27-4-2-1-3-5-27/h6-17,19-22,27,39,43H,1-5,18H2
• InChIKey: GOQUZPAWSQFEMU-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 109.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.64
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one?

The IUPAC name of 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one (CID 123733389) is 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one.

What is the SMILES notation for 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one?

The canonical SMILES for 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one is O=c1cc(-c2ccc(Cc3nc(-c4ccc(Cl)cc4Cl)cn3-c3ccc(N4C=C(O)NS4(=O)=O)cc3)cc2)ccn1C1CCCCC1.

What is the InChIKey of 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one?

The InChIKey is GOQUZPAWSQFEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31Cl2N5O4S/c36-26-10-15-30(31(37)20-26)32-21-41(28-11-13-29(14-12-28)42-22-34(43)39-47(42,45)46)33(38-32)18-23-6-8-24(9-7-23)25-16-17-40(35(44)19-25)27-4-2-1-3-5-27/h6-17,19-22,27,39,43H,1-5,18H2.

What are the key properties of 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one?

1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one has a molecular weight of 688.64 g/mol, XLogP of 7.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]imidazol-2-yl]methyl]phenyl]pyridin-2-one is sourced from PubChem (CID 123733389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).