bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea

C136H125Cl4FN20O18S5 — CID 157141786

About bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea

bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea (PubChem CID 157141786) has the molecular formula C136H125Cl4FN20O18S5 and a molecular weight of 2648.76 g/mol. Its IUPAC name is bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea.

Molecular Properties

• Compound Name: bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea
• PubChem CID: 157141786
• Molecular Formula: C136H125Cl4FN20O18S5
• Molecular Weight: 2648.76 g/mol
• Exact Mass: 2644.68
• IUPAC Name: bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea
• SMILES: CCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.COc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.COc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2F)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(C2=CCC=C2)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(C2=CCC=C2)cc1
• InChI: InChI=1S/2C30H28N4O3S.C26H24Cl2N4O4S.C25H22Cl2N4O4S.C25H23FN4O4S/c2*1-22-9-5-8-14-28(22)38(36,37)33-30(35)32-27(21-23-10-3-2-4-11-23)29-31-19-20-34(29)26-17-15-25(16-18-26)24-12-6-7-13-24;1-2-36-20-13-11-19(12-14-20)32-16-15-29-25(32)22(17-18-7-4-3-5-8-18)30-26(33)31-37(34,35)23-10-6-9-21(27)24(23)28;1-35-19-12-10-18(11-13-19)31-15-14-28-24(31)21(16-17-6-3-2-4-7-17)29-25(32)30-36(33,34)22-9-5-8-20(26)23(22)27;1-34-20-13-11-19(12-14-20)30-16-15-27-24(30)22(17-18-7-3-2-4-8-18)28-25(31)29-35(32,33)23-10-6-5-9-21(23)26/h2*2-6,8-20,27H,7,21H2,1H3,(H2,32,33,35);3-16,22H,2,17H2,1H3,(H2,30,31,33);2-15,21H,16H2,1H3,(H2,29,30,32);2-16,22H,17H2,1H3,(H2,28,29,31)/t2*27-;22-;21-;22-/m00000/s1
• InChIKey: AKGQYRYCFXTPMB-SCQSVQHUSA-N
• XLogP: 25.69
• TPSA: 493.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 41
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2648.76
LogP ≤ 5	25.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea?

The IUPAC name of bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea (CID 157141786) is bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea.

What is the SMILES notation for bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea?

The canonical SMILES for bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea is CCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.COc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.COc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2F)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(C2=CCC=C2)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(C2=CCC=C2)cc1.

What is the InChIKey of bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea?

The InChIKey is AKGQYRYCFXTPMB-SCQSVQHUSA-N. The full InChI is InChI=1S/2C30H28N4O3S.C26H24Cl2N4O4S.C25H22Cl2N4O4S.C25H23FN4O4S/c2*1-22-9-5-8-14-28(22)38(36,37)33-30(35)32-27(21-23-10-3-2-4-11-23)29-31-19-20-34(29)26-17-15-25(16-18-26)24-12-6-7-13-24;1-2-36-20-13-11-19(12-14-20)32-16-15-29-25(32)22(17-18-7-4-3-5-8-18)30-26(33)31-37(34,35)23-10-6-9-21(27)24(23)28;1-35-19-12-10-18(11-13-19)31-15-14-28-24(31)21(16-17-6-3-2-4-7-17)29-25(32)30-36(33,34)22-9-5-8-20(26)23(22)27;1-34-20-13-11-19(12-14-20)30-16-15-27-24(30)22(17-18-7-3-2-4-8-18)28-25(31)29-35(32,33)23-10-6-5-9-21(23)26/h2*2-6,8-20,27H,7,21H2,1H3,(H2,32,33,35);3-16,22H,2,17H2,1H3,(H2,30,31,33);2-15,21H,16H2,1H3,(H2,29,30,32);2-16,22H,17H2,1H3,(H2,28,29,31)/t2*27-;22-;21-;22-/m00000/s1.

What are the key properties of bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea?

bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea has a molecular weight of 2648.76 g/mol, XLogP of 25.69, 41 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea is sourced from PubChem (CID 157141786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).