6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene

C62H62N8O2 — CID 157248338

About 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene

6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene (PubChem CID 157248338) has the molecular formula C62H62N8O2 and a molecular weight of 951.23 g/mol. Its IUPAC name is 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene.

Molecular Properties

• Compound Name: 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene
• PubChem CID: 157248338
• Molecular Formula: C62H62N8O2
• Molecular Weight: 951.23 g/mol
• Exact Mass: 950.50
• IUPAC Name: 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene
• SMILES: CCC=CCc1ncc(-c2ccc3c(c2)OCc2cc4c(cc2-3)CCc2[nH]c(CC=CCC)nc2-4)[nH]1.CCC=CCc1ncc(-c2ccc3c(c2)OCc2cc4c(ccc5[nH]c(CC=CCC)nc54)cc2-3)[nH]1
• InChI: InChI=1S/C31H32N4O.C31H30N4O/c2*1-3-5-7-9-29-32-18-27(34-29)21-11-13-23-24-15-20-12-14-26-31(35-30(33-26)10-8-6-4-2)25(20)16-22(24)19-36-28(23)17-21/h5-8,11,13,15-18H,3-4,9-10,12,14,19H2,1-2H3,(H,32,34)(H,33,35);5-8,11-18H,3-4,9-10,19H2,1-2H3,(H,32,34)(H,33,35)
• InChIKey: AWAWJNKJBQISHN-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 133.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.23
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene?

The IUPAC name of 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene (CID 157248338) is 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene.

What is the SMILES notation for 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene?

The canonical SMILES for 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene is CCC=CCc1ncc(-c2ccc3c(c2)OCc2cc4c(cc2-3)CCc2[nH]c(CC=CCC)nc2-4)[nH]1.CCC=CCc1ncc(-c2ccc3c(c2)OCc2cc4c(ccc5[nH]c(CC=CCC)nc54)cc2-3)[nH]1.

What is the InChIKey of 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene?

The InChIKey is AWAWJNKJBQISHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O.C31H30N4O/c2*1-3-5-7-9-29-32-18-27(34-29)21-11-13-23-24-15-20-12-14-26-31(35-30(33-26)10-8-6-4-2)25(20)16-22(24)19-36-28(23)17-21/h5-8,11,13,15-18H,3-4,9-10,12,14,19H2,1-2H3,(H,32,34)(H,33,35);5-8,11-18H,3-4,9-10,19H2,1-2H3,(H,32,34)(H,33,35).

What are the key properties of 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene?

6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene has a molecular weight of 951.23 g/mol, XLogP of 14.83, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-pent-2-enyl-17-(2-pent-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene is sourced from PubChem (CID 157248338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).