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

C24H26N4O2 — CID 10179247

IUPACtert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H26N4O2/c1-24(2,3)30-23(29)28-20(13-17-14-25-19-12-8-7-11-18(17)19)22-26-15-21(27-22)16-9-5-4-6-10-16/h4-12,14-15,20,25H,13H2,1-3H3,(H,26,27)(H,28,29)/t20-/m1/s1
InChIKeyQWEVSVIZUBGYOE-HXUWFJFHSA-N
MW402.50 g/mol
LogP5.37
Rot. Bonds5

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

tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate (PubChem CID 10179247) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
PubChem CID10179247
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Nametert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H26N4O2/c1-24(2,3)30-23(29)28-20(13-17-14-25-19-12-8-7-11-18(17)19)22-26-15-21(27-22)16-9-5-4-6-10-16/h4-12,14-15,20,25H,13H2,1-3H3,(H,26,27)(H,28,29)/t20-/m1/s1
InChIKeyQWEVSVIZUBGYOE-HXUWFJFHSA-N
XLogP5.37
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate (CID 10179247) is tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
The InChIKey is QWEVSVIZUBGYOE-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-24(2,3)30-23(29)28-20(13-17-14-25-19-12-8-7-11-18(17)19)22-26-15-21(27-22)16-9-5-4-6-10-16/h4-12,14-15,20,25H,13H2,1-3H3,(H,26,27)(H,28,29)/t20-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate has a molecular weight of 402.50 g/mol, XLogP of 5.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 10179247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).