1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea

C141H132F3N23O18S5 — CID 159112645

About 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea

1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea (PubChem CID 159112645) has the molecular formula C141H132F3N23O18S5 and a molecular weight of 2654.08 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea
• PubChem CID: 159112645
• Molecular Formula: C141H132F3N23O18S5
• Molecular Weight: 2654.08 g/mol
• Exact Mass: 2651.87
• IUPAC Name: 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea
• SMILES: CCCC(=O)Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1nccn1-c1ccc2c(c1)CCO2.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccn(-c2ccccc2)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cnn(Cc2ccccc2)c1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1)NS(=O)(=O)c1ccccc1F
• InChI: InChI=1S/C30H32N4O4S.C29H28N6O3S.C29H27N5O3S.C27H24F2N4O4S.C26H21FN4O4S/c1-3-10-26(35)20-24-14-9-15-25(19-24)34-18-17-31-29(34)27(21-23-12-5-4-6-13-23)32-30(36)33-39(37,38)28-16-8-7-11-22(28)2;1-22-10-8-9-15-27(22)39(37,38)33-29(36)32-26(18-23-11-4-2-5-12-23)28-30-16-17-35(28)25-19-31-34(21-25)20-24-13-6-3-7-14-24;1-22-10-8-9-15-27(22)38(36,37)32-29(35)31-26(20-23-11-4-2-5-12-23)28-30-17-19-34(28)25-16-18-33(21-25)24-13-6-3-7-14-24;1-17-4-2-3-5-25(17)38(35,36)32-27(34)31-23(14-18-12-20(28)16-21(29)13-18)26-30-9-10-33(26)22-6-7-24-19(15-22)8-11-37-24;27-21-8-4-5-9-24(21)36(33,34)30-26(32)29-22(16-18-6-2-1-3-7-18)25-28-13-14-31(25)20-10-11-23-19(17-20)12-15-35-23/h4-9,11-19,27H,3,10,20-21H2,1-2H3,(H2,32,33,36);2-17,19,21,26H,18,20H2,1H3,(H2,32,33,36);2-19,21,26H,20H2,1H3,(H2,31,32,35);2-7,9-10,12-13,15-16,23H,8,11,14H2,1H3,(H2,31,32,34);1-15,17,22H,16H2,(H2,29,30,32)/t27-;2*26-;23-;22-/m00000/s1
• InChIKey: KEROVXFYYGJEPA-SJTYJHEWSA-N
• XLogP: 23.50
• TPSA: 527.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 42
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2654.08
LogP ≤ 5	23.50
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea?

The IUPAC name of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea (CID 159112645) is 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea.

What is the SMILES notation for 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea?

The canonical SMILES for 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea is CCCC(=O)Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1nccn1-c1ccc2c(c1)CCO2.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccn(-c2ccccc2)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cnn(Cc2ccccc2)c1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1)NS(=O)(=O)c1ccccc1F.

What is the InChIKey of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea?

The InChIKey is KEROVXFYYGJEPA-SJTYJHEWSA-N. The full InChI is InChI=1S/C30H32N4O4S.C29H28N6O3S.C29H27N5O3S.C27H24F2N4O4S.C26H21FN4O4S/c1-3-10-26(35)20-24-14-9-15-25(19-24)34-18-17-31-29(34)27(21-23-12-5-4-6-13-23)32-30(36)33-39(37,38)28-16-8-7-11-22(28)2;1-22-10-8-9-15-27(22)39(37,38)33-29(36)32-26(18-23-11-4-2-5-12-23)28-30-16-17-35(28)25-19-31-34(21-25)20-24-13-6-3-7-14-24;1-22-10-8-9-15-27(22)38(36,37)32-29(35)31-26(20-23-11-4-2-5-12-23)28-30-17-19-34(28)25-16-18-33(21-25)24-13-6-3-7-14-24;1-17-4-2-3-5-25(17)38(35,36)32-27(34)31-23(14-18-12-20(28)16-21(29)13-18)26-30-9-10-33(26)22-6-7-24-19(15-22)8-11-37-24;27-21-8-4-5-9-24(21)36(33,34)30-26(32)29-22(16-18-6-2-1-3-7-18)25-28-13-14-31(25)20-10-11-23-19(17-20)12-15-35-23/h4-9,11-19,27H,3,10,20-21H2,1-2H3,(H2,32,33,36);2-17,19,21,26H,18,20H2,1H3,(H2,32,33,36);2-19,21,26H,20H2,1H3,(H2,31,32,35);2-7,9-10,12-13,15-16,23H,8,11,14H2,1H3,(H2,31,32,34);1-15,17,22H,16H2,(H2,29,30,32)/t27-;2*26-;23-;22-/m00000/s1.

What are the key properties of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea?

1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea has a molecular weight of 2654.08 g/mol, XLogP of 23.50, 42 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea is sourced from PubChem (CID 159112645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).