but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate

C107H132ClN25O12S — CID 159693362

About but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate

but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate (PubChem CID 159693362) has the molecular formula C107H132ClN25O12S and a molecular weight of 2027.92 g/mol. Its IUPAC name is but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate.

Molecular Properties

• Compound Name: but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate
• PubChem CID: 159693362
• Molecular Formula: C107H132ClN25O12S
• Molecular Weight: 2027.92 g/mol
• Exact Mass: 2025.99
• IUPAC Name: but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate
• SMILES: CC#CCOC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CCCCCCOC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CCN(C(=O)NOC)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CCN(C(=O)OC)c1cc(Cl)c2c(c1)N(Cc1cnc[nH]1)CC2.CN(C(=O)Cc1cccs1)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.COCCOCC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
• InChI: InChI=1S/C20H28N4O2.C19H20N4OS.C18H24N4O3.C18H20N4O2.C16H19ClN4O2.C16H21N5O2/c1-3-4-5-6-11-26-20(25)23(2)18-8-7-16-9-10-24(19(16)12-18)14-17-13-21-15-22-17;1-22(19(24)10-17-3-2-8-25-17)16-5-4-14-6-7-23(18(14)9-16)12-15-11-20-13-21-15;1-21(18(23)12-25-8-7-24-2)16-4-3-14-5-6-22(17(14)9-16)11-15-10-19-13-20-15;1-3-4-9-24-18(23)21(2)16-6-5-14-7-8-22(17(14)10-16)12-15-11-19-13-20-15;1-3-21(16(22)23-2)12-6-14(17)13-4-5-20(15(13)7-12)9-11-8-18-10-19-11;1-3-21(16(22)19-23-2)14-5-4-12-6-7-20(15(12)8-14)10-13-9-17-11-18-13/h7-8,12-13,15H,3-6,9-11,14H2,1-2H3,(H,21,22);2-5,8-9,11,13H,6-7,10,12H2,1H3,(H,20,21);3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,19,20);5-6,10-11,13H,7-9,12H2,1-2H3,(H,19,20);6-8,10H,3-5,9H2,1-2H3,(H,18,19);4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,18)(H,19,22)
• InChIKey: MWRQODLDSBKUJS-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 380.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2027.92
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate?

The IUPAC name of but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate (CID 159693362) is but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate.

What is the SMILES notation for but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate?

The canonical SMILES for but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate is CC#CCOC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CCCCCCOC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CCN(C(=O)NOC)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CCN(C(=O)OC)c1cc(Cl)c2c(c1)N(Cc1cnc[nH]1)CC2.CN(C(=O)Cc1cccs1)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.COCCOCC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.

What is the InChIKey of but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate?

The InChIKey is MWRQODLDSBKUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.C19H20N4OS.C18H24N4O3.C18H20N4O2.C16H19ClN4O2.C16H21N5O2/c1-3-4-5-6-11-26-20(25)23(2)18-8-7-16-9-10-24(19(16)12-18)14-17-13-21-15-22-17;1-22(19(24)10-17-3-2-8-25-17)16-5-4-14-6-7-23(18(14)9-16)12-15-11-20-13-21-15;1-21(18(23)12-25-8-7-24-2)16-4-3-14-5-6-22(17(14)9-16)11-15-10-19-13-20-15;1-3-4-9-24-18(23)21(2)16-6-5-14-7-8-22(17(14)10-16)12-15-11-19-13-20-15;1-3-21(16(22)23-2)12-6-14(17)13-4-5-20(15(13)7-12)9-11-8-18-10-19-11;1-3-21(16(22)19-23-2)14-5-4-12-6-7-20(15(12)8-14)10-13-9-17-11-18-13/h7-8,12-13,15H,3-6,9-11,14H2,1-2H3,(H,21,22);2-5,8-9,11,13H,6-7,10,12H2,1H3,(H,20,21);3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,19,20);5-6,10-11,13H,7-9,12H2,1-2H3,(H,19,20);6-8,10H,3-5,9H2,1-2H3,(H,18,19);4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,18)(H,19,22).

What are the key properties of but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate?

but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate has a molecular weight of 2027.92 g/mol, XLogP of 16.82, 34 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate is sourced from PubChem (CID 159693362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).