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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

melanotan-II
CID 92432
AC-Nle-cyclo-(glu-his-D-phe-arg-dap)-trp-NH2
CID 88944400
BN-81,644
CID 9802572
Ac-His-DPhe-Arg-Trp-NH2
CID 11093672
Tert-Butyl [(1r,3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)cyclopentyl]carbamate
CID 53341503
Histidyltryptophyldiketopiperazine
CID 24066854
(D)Phe-Gln-Trp-Ala-Val-Gly-His-Leu-Leu-NH2
CID 44315629
c(his-D-phe-arg-trp-Ahx)
CID 44413537
c(his-D-phe-arg-trp-Abu)
CID 44413577
c(his-L-phe-arg-trp-Aoc)
CID 44413592
1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348
ethyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate
CID 355090

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).