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

C148H137FN22O16S5 — CID 159055430

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

1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea (PubChem CID 159055430) has the molecular formula C148H137FN22O16S5 and a molecular weight of 2659.19 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea.

Molecular Properties

• Compound Name: 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
• PubChem CID: 159055430
• Molecular Formula: C148H137FN22O16S5
• Molecular Weight: 2659.19 g/mol
• Exact Mass: 2656.92
• IUPAC Name: 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
• SMILES: Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2ccoc2C)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2cnn(C)c2)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.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(C2=CCC=C2)cc1)NS(=O)(=O)c1ccccc1F
• InChI: InChI=1S/C30H28N4O4S.2C30H28N4O3S.C29H25FN4O3S.C29H28N6O3S/c1-21-8-6-7-11-28(21)39(36,37)33-30(35)32-27(20-23-9-4-3-5-10-23)29-31-17-18-34(29)25-14-12-24(13-15-25)26-16-19-38-22(26)2;2*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;30-25-12-6-7-13-27(25)38(36,37)33-29(35)32-26(20-21-8-2-1-3-9-21)28-31-18-19-34(28)24-16-14-23(15-17-24)22-10-4-5-11-22;1-21-8-6-7-11-27(21)39(37,38)33-29(36)32-26(18-22-9-4-3-5-10-22)28-30-16-17-35(28)25-14-12-23(13-15-25)24-19-31-34(2)20-24/h3-19,27H,20H2,1-2H3,(H2,32,33,35);2*2-6,8-20,27H,7,21H2,1H3,(H2,32,33,35);1-4,6-19,26H,5,20H2,(H2,32,33,35);3-17,19-20,26H,18H2,1-2H3,(H2,32,33,36)/t3*27-;2*26-/m00000/s1
• InChIKey: JXUIUYPWXHHLKV-HYPSPILTSA-N
• XLogP: 26.59
• TPSA: 496.41 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2659.19
LogP ≤ 5	26.59
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea (CID 159055430) is 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea.

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

The canonical SMILES for 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea is Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2ccoc2C)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2cnn(C)c2)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.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(C2=CCC=C2)cc1)NS(=O)(=O)c1ccccc1F.

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

The InChIKey is JXUIUYPWXHHLKV-HYPSPILTSA-N. The full InChI is InChI=1S/C30H28N4O4S.2C30H28N4O3S.C29H25FN4O3S.C29H28N6O3S/c1-21-8-6-7-11-28(21)39(36,37)33-30(35)32-27(20-23-9-4-3-5-10-23)29-31-17-18-34(29)25-14-12-24(13-15-25)26-16-19-38-22(26)2;2*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;30-25-12-6-7-13-27(25)38(36,37)33-29(35)32-26(20-21-8-2-1-3-9-21)28-31-18-19-34(28)24-16-14-23(15-17-24)22-10-4-5-11-22;1-21-8-6-7-11-27(21)39(37,38)33-29(36)32-26(18-22-9-4-3-5-10-22)28-30-16-17-35(28)25-14-12-23(13-15-25)24-19-31-34(2)20-24/h3-19,27H,20H2,1-2H3,(H2,32,33,35);2*2-6,8-20,27H,7,21H2,1H3,(H2,32,33,35);1-4,6-19,26H,5,20H2,(H2,32,33,35);3-17,19-20,26H,18H2,1-2H3,(H2,32,33,36)/t3*27-;2*26-/m00000/s1.

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

1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea has a molecular weight of 2659.19 g/mol, XLogP of 26.59, 40 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea is sourced from PubChem (CID 159055430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).