N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole

C108H126N32O8S4 — CID 158951687

About N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole

N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole (PubChem CID 158951687) has the molecular formula C108H126N32O8S4 and a molecular weight of 2128.68 g/mol. Its IUPAC name is N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole.

Molecular Properties

• Compound Name: N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole
• PubChem CID: 158951687
• Molecular Formula: C108H126N32O8S4
• Molecular Weight: 2128.68 g/mol
• Exact Mass: 2126.93
• IUPAC Name: N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole
• SMILES: CC(=O)Nc1ccc2ccn(Cc3cnc[nH]3)c2c1.CNC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CNS(=O)(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CS(=O)(=O)Nc1ccc2c(c1)N(CCc1cnc[nH]1)CC2.CS(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CSc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.NC(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.[H]/N=C(\N)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
• InChI: InChI=1S/C15H19N5O.C14H18N4O2S.C14H14N4O.C13H15N5.C13H16N4O2S.C13H14N4O.C13H15N3OS.C13H15N3S/c1-16-15(21)19(2)13-4-3-11-5-6-20(14(11)7-13)9-12-8-17-10-18-12;1-21(19,20)17-12-3-2-11-4-6-18(14(11)8-12)7-5-13-9-15-10-16-13;1-10(19)17-12-3-2-11-4-5-18(14(11)6-12)8-13-7-15-9-16-13;14-13(15)10-2-1-9-3-4-18(12(9)5-10)7-11-6-16-8-17-11;1-14-20(18,19)12-3-2-10-4-5-17(13(10)6-12)8-11-7-15-9-16-11;14-13(18)10-2-1-9-3-4-17(12(9)5-10)7-11-6-15-8-16-11;1-18(17)12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11;1-17-12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,16,21)(H,17,18);2-3,8-10,17H,4-7H2,1H3,(H,15,16);2-7,9H,8H2,1H3,(H,15,16)(H,17,19);1-2,5-6,8H,3-4,7H2,(H3,14,15)(H,16,17);2-3,6-7,9,14H,4-5,8H2,1H3,(H,15,16);1-2,5-6,8H,3-4,7H2,(H2,14,18)(H,15,16);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15)
• InChIKey: JLMVDVGYWJMCAT-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 520.86 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2128.68
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole?

The IUPAC name of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole (CID 158951687) is N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole.

What is the SMILES notation for N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole?

The canonical SMILES for N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole is CC(=O)Nc1ccc2ccn(Cc3cnc[nH]3)c2c1.CNC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CNS(=O)(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CS(=O)(=O)Nc1ccc2c(c1)N(CCc1cnc[nH]1)CC2.CS(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CSc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.NC(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.[H]/N=C(\N)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.

What is the InChIKey of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole?

The InChIKey is JLMVDVGYWJMCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.C14H18N4O2S.C14H14N4O.C13H15N5.C13H16N4O2S.C13H14N4O.C13H15N3OS.C13H15N3S/c1-16-15(21)19(2)13-4-3-11-5-6-20(14(11)7-13)9-12-8-17-10-18-12;1-21(19,20)17-12-3-2-11-4-6-18(14(11)8-12)7-5-13-9-15-10-16-13;1-10(19)17-12-3-2-11-4-5-18(14(11)6-12)8-13-7-15-9-16-13;14-13(15)10-2-1-9-3-4-18(12(9)5-10)7-11-6-16-8-17-11;1-14-20(18,19)12-3-2-10-4-5-17(13(10)6-12)8-11-7-15-9-16-11;14-13(18)10-2-1-9-3-4-17(12(9)5-10)7-11-6-15-8-16-11;1-18(17)12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11;1-17-12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,16,21)(H,17,18);2-3,8-10,17H,4-7H2,1H3,(H,15,16);2-7,9H,8H2,1H3,(H,15,16)(H,17,19);1-2,5-6,8H,3-4,7H2,(H3,14,15)(H,16,17);2-3,6-7,9,14H,4-5,8H2,1H3,(H,15,16);1-2,5-6,8H,3-4,7H2,(H2,14,18)(H,15,16);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15).

What are the key properties of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole?

N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole has a molecular weight of 2128.68 g/mol, XLogP of 13.12, 27 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole is sourced from PubChem (CID 158951687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).