tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate

C30H30N4O2 — CID 10950909

About tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate

tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate (PubChem CID 10950909) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate
• PubChem CID: 10950909
• Molecular Formula: C30H30N4O2
• Molecular Weight: 478.60 g/mol
• Exact Mass: 478.24
• IUPAC Name: tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
• InChI: InChI=1S/C30H30N4O2/c1-30(2,3)36-29(35)32-25(18-22-19-31-24-17-11-10-16-23(22)24)28-33-26(20-12-6-4-7-13-20)27(34-28)21-14-8-5-9-15-21/h4-17,19,25,31H,18H2,1-3H3,(H,32,35)(H,33,34)/t25-/m1/s1
• InChIKey: WQALLHRYVMVCAI-RUZDIDTESA-N
• XLogP: 7.03
• TPSA: 82.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.60
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate?

The IUPAC name of tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate (CID 10950909) is tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate?

The canonical SMILES for tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.

What is the InChIKey of tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate?

The InChIKey is WQALLHRYVMVCAI-RUZDIDTESA-N. The full InChI is InChI=1S/C30H30N4O2/c1-30(2,3)36-29(35)32-25(18-22-19-31-24-17-11-10-16-23(22)24)28-33-26(20-12-6-4-7-13-20)27(34-28)21-14-8-5-9-15-21/h4-17,19,25,31H,18H2,1-3H3,(H,32,35)(H,33,34)/t25-/m1/s1.

What are the key properties of tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate?

tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate has a molecular weight of 478.60 g/mol, XLogP of 7.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 10950909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).