3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione

C99H95N19O12 — CID 161244013

About 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione

3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione (PubChem CID 161244013) has the molecular formula C99H95N19O12 and a molecular weight of 1742.97 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione
• PubChem CID: 161244013
• Molecular Formula: C99H95N19O12
• Molecular Weight: 1742.97 g/mol
• Exact Mass: 1741.74
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione
• SMILES: CN(C)CCCn1cc(C2=C(c3cc4ccccc4[nH]3)C(=O)NC2=O)c2cc(O)ccc21.CN(C)CCCn1cc(C2=C(c3nc4ccccc4[nH]3)C(=O)NC2=O)c2cc(O)ccc21.CN1CCN(c2cccc3[nH]c(C4=C(c5c[nH]c6ccc(O)cc56)C(=O)NC4=O)nc23)CC1.COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCCN(C)C
• InChI: InChI=1S/C26H26N4O3.C25H24N4O3.C24H22N6O3.C24H23N5O3/c1-29(2)11-6-12-30-15-20(18-13-16(33-3)9-10-22(18)30)24-23(25(31)28-26(24)32)19-14-27-21-8-5-4-7-17(19)21;1-28(2)10-5-11-29-14-18(17-13-16(30)8-9-21(17)29)22-23(25(32)27-24(22)31)20-12-15-6-3-4-7-19(15)26-20;1-29-7-9-30(10-8-29)18-4-2-3-17-21(18)27-22(26-17)20-19(23(32)28-24(20)33)15-12-25-16-6-5-13(31)11-14(15)16;1-28(2)10-5-11-29-13-16(15-12-14(30)8-9-19(15)29)20-21(24(32)27-23(20)31)22-25-17-6-3-4-7-18(17)26-22/h4-5,7-10,13-15,27H,6,11-12H2,1-3H3,(H,28,31,32);3-4,6-9,12-14,26,30H,5,10-11H2,1-2H3,(H,27,31,32);2-6,11-12,25,31H,7-10H2,1H3,(H,26,27)(H,28,32,33);3-4,6-9,12-13,30H,5,10-11H2,1-2H3,(H,25,26)(H,27,31,32)
• InChIKey: VAJRCPCPQNTMHB-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 390.32 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1742.97
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione?

The IUPAC name of 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione (CID 161244013) is 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione.

What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione?

The canonical SMILES for 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione is CN(C)CCCn1cc(C2=C(c3cc4ccccc4[nH]3)C(=O)NC2=O)c2cc(O)ccc21.CN(C)CCCn1cc(C2=C(c3nc4ccccc4[nH]3)C(=O)NC2=O)c2cc(O)ccc21.CN1CCN(c2cccc3[nH]c(C4=C(c5c[nH]c6ccc(O)cc56)C(=O)NC4=O)nc23)CC1.COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCCN(C)C.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione?

The InChIKey is VAJRCPCPQNTMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3.C25H24N4O3.C24H22N6O3.C24H23N5O3/c1-29(2)11-6-12-30-15-20(18-13-16(33-3)9-10-22(18)30)24-23(25(31)28-26(24)32)19-14-27-21-8-5-4-7-17(19)21;1-28(2)10-5-11-29-14-18(17-13-16(30)8-9-21(17)29)22-23(25(32)27-24(22)31)20-12-15-6-3-4-7-19(15)26-20;1-29-7-9-30(10-8-29)18-4-2-3-17-21(18)27-22(26-17)20-19(23(32)28-24(20)33)15-12-25-16-6-5-13(31)11-14(15)16;1-28(2)10-5-11-29-13-16(15-12-14(30)8-9-19(15)29)20-21(24(32)27-23(20)31)22-25-17-6-3-4-7-18(17)26-22/h4-5,7-10,13-15,27H,6,11-12H2,1-3H3,(H,28,31,32);3-4,6-9,12-14,26,30H,5,10-11H2,1-2H3,(H,27,31,32);2-6,11-12,25,31H,7-10H2,1H3,(H,26,27)(H,28,32,33);3-4,6-9,12-13,30H,5,10-11H2,1-2H3,(H,25,26)(H,27,31,32).

What are the key properties of 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione?

3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione has a molecular weight of 1742.97 g/mol, XLogP of 11.81, 22 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 161244013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).