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

C26H27N3O2 — CID 59838366

IUPACtert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccc2ccccc2c1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C26H27N3O2/c1-26(2,3)31-25(30)29-22(16-18-13-14-19-9-7-8-12-21(19)15-18)24-27-17-23(28-24)20-10-5-4-6-11-20/h4-15,17,22H,16H2,1-3H3,(H,27,28)(H,29,30)/t22-/m1/s1
InChIKeyXMIBCIJQOWBRLU-JOCHJYFZSA-N
MW413.52 g/mol
LogP6.04
Rot. Bonds5

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

tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate (PubChem CID 59838366) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
PubChem CID59838366
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Nametert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccc2ccccc2c1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C26H27N3O2/c1-26(2,3)31-25(30)29-22(16-18-13-14-19-9-7-8-12-21(19)15-18)24-27-17-23(28-24)20-10-5-4-6-11-20/h4-15,17,22H,16H2,1-3H3,(H,27,28)(H,29,30)/t22-/m1/s1
InChIKeyXMIBCIJQOWBRLU-JOCHJYFZSA-N
XLogP6.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide
CID 159633240
tert-butyl N-[(1R)-2-(3H-inden-1-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
CID 58325937
methyl 3-[(2S)-2-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 66938539
tert-butyl N-[(1R)-2-(5,6-difluoro-1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
CID 59410544
tert-butyl N-[1-(5-bromo-1H-imidazol-2-yl)-2-phenylethyl]carbamate
CID 77201552
CID 161183001
CID 161183001
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoic acid
CID 7021578
ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 155266711
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 86751289
tert-butyl N-[(1S)-1-(5-ethynyl-6-oxo-1H-pyrimidin-2-yl)-2-phenylethyl]carbamate
CID 71580563
tert-butyl N-[1-(1H-benzimidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl]carbamate
CID 77225957
chloromethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986413

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate (CID 59838366) is tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccc2ccccc2c1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
The InChIKey is XMIBCIJQOWBRLU-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-26(2,3)31-25(30)29-22(16-18-13-14-19-9-7-8-12-21(19)15-18)24-27-17-23(28-24)20-10-5-4-6-11-20/h4-15,17,22H,16H2,1-3H3,(H,27,28)(H,29,30)/t22-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate has a molecular weight of 413.52 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 59838366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).