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

C24H25FN4O2 — CID 86643515

IUPACtert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C24H25FN4O2/c1-24(2,3)31-23(30)29-20(12-16-13-26-19-7-5-4-6-18(16)19)22-27-14-21(28-22)15-8-10-17(25)11-9-15/h4-11,13-14,20,26H,12H2,1-3H3,(H,27,28)(H,29,30)/t20-/m1/s1
InChIKeyWCUACAOOMLDOLB-HXUWFJFHSA-N
MW420.49 g/mol
LogP5.51
Rot. Bonds5

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

tert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate (PubChem CID 86643515) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
PubChem CID86643515
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Nametert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C24H25FN4O2/c1-24(2,3)31-23(30)29-20(12-16-13-26-19-7-5-4-6-18(16)19)22-27-14-21(28-22)15-8-10-17(25)11-9-15/h4-11,13-14,20,26H,12H2,1-3H3,(H,27,28)(H,29,30)/t20-/m1/s1
InChIKeyWCUACAOOMLDOLB-HXUWFJFHSA-N
XLogP5.51
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate with MolForge

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Related Compounds

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
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
ethyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate
CID 355090
(2S)-6-methyl-N-[(1S)-1-[5-(1-methylindol-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506662
N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 72710598
c[Nle-His-D-Phe-Arg-Trp-Glu]-NH2
CID 11535237
c(his-D-phe-arg-trp-Aoc)
CID 44413535

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate (CID 86643515) is tert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of tert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate?
The InChIKey is WCUACAOOMLDOLB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-24(2,3)31-23(30)29-20(12-16-13-26-19-7-5-4-6-18(16)19)22-27-14-21(28-22)15-8-10-17(25)11-9-15/h4-11,13-14,20,26H,12H2,1-3H3,(H,27,28)(H,29,30)/t20-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate?
tert-butyl N-[(1R)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate has a molecular weight of 420.49 g/mol, XLogP of 5.51, 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)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 86643515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).