1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole

C50H38Cl6N6O7S2 — CID 157363600

About 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole

1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 157363600) has the molecular formula C50H38Cl6N6O7S2 and a molecular weight of 1111.74 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole
• PubChem CID: 157363600
• Molecular Formula: C50H38Cl6N6O7S2
• Molecular Weight: 1111.74 g/mol
• Exact Mass: 1108.04
• IUPAC Name: 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole
• SMILES: CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(=O)NCCO)nc3-c3c(Cl)cccc3Cl)c(Cl)c2)c1.CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C4=NCCO4)nc3-c3c(Cl)cccc3Cl)c(Cl)c2)c1
• InChI: InChI=1S/C25H20Cl3N3O4S.C25H18Cl3N3O3S/c1-36(34,35)17-5-2-4-15(12-17)16-8-9-22(20(28)13-16)31-14-21(25(33)29-10-11-32)30-24(31)23-18(26)6-3-7-19(23)27;1-35(32,33)17-5-2-4-15(12-17)16-8-9-22(20(28)13-16)31-14-21(25-29-10-11-34-25)30-24(31)23-18(26)6-3-7-19(23)27/h2-9,12-14,32H,10-11H2,1H3,(H,29,33);2-9,12-14H,10-11H2,1H3
• InChIKey: BIXOIROSWNPFBR-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 174.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1111.74
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole?

The IUPAC name of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole (CID 157363600) is 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole?

The canonical SMILES for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole is CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(=O)NCCO)nc3-c3c(Cl)cccc3Cl)c(Cl)c2)c1.CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C4=NCCO4)nc3-c3c(Cl)cccc3Cl)c(Cl)c2)c1.

What is the InChIKey of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole?

The InChIKey is BIXOIROSWNPFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3N3O4S.C25H18Cl3N3O3S/c1-36(34,35)17-5-2-4-15(12-17)16-8-9-22(20(28)13-16)31-14-21(25(33)29-10-11-32)30-24(31)23-18(26)6-3-7-19(23)27;1-35(32,33)17-5-2-4-15(12-17)16-8-9-22(20(28)13-16)31-14-21(25-29-10-11-34-25)30-24(31)23-18(26)6-3-7-19(23)27/h2-9,12-14,32H,10-11H2,1H3,(H,29,33);2-9,12-14H,10-11H2,1H3.

What are the key properties of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole?

1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 1111.74 g/mol, XLogP of 11.64, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 157363600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).