tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate

C32H33N3O2 — CID 10672736

IUPACtert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
SMILESC[C@@H](NC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)OC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C32H33N3O2/c1-22(26-21-13-19-23-14-11-12-20-27(23)26)33-30-34-28(24-15-7-5-8-16-24)29(25-17-9-6-10-18-25)35(30)31(36)37-32(2,3)4/h5-22,28-29H,1-4H3,(H,33,34)/t22-,28+,29+/m1/s1
InChIKeyGEWIFEJHFUHXMX-YDTRGFDASA-N
MW491.64 g/mol
LogP7.58
Rot. Bonds4

About tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate

tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate (PubChem CID 10672736) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
PubChem CID10672736
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC Nametert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
SMILESC[C@@H](NC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)OC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C32H33N3O2/c1-22(26-21-13-19-23-14-11-12-20-27(23)26)33-30-34-28(24-15-7-5-8-16-24)29(25-17-9-6-10-18-25)35(30)31(36)37-32(2,3)4/h5-22,28-29H,1-4H3,(H,33,34)/t22-,28+,29+/m1/s1
InChIKeyGEWIFEJHFUHXMX-YDTRGFDASA-N
XLogP7.58
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate with MolForge

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Related Compounds

tert-butyl (4S,5R)-2-[(4-fluorobenzoyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
CID 68569865
tert-butyl (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
CID 86596335
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate
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CID 175358217
tert-butyl (3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 121478883
tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 35704649
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate (CID 10672736) is tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate is C[C@@H](NC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)OC(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is GEWIFEJHFUHXMX-YDTRGFDASA-N. The full InChI is InChI=1S/C32H33N3O2/c1-22(26-21-13-19-23-14-11-12-20-27(23)26)33-30-34-28(24-15-7-5-8-16-24)29(25-17-9-6-10-18-25)35(30)31(36)37-32(2,3)4/h5-22,28-29H,1-4H3,(H,33,34)/t22-,28+,29+/m1/s1.
What are the key properties of tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate?
tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 491.64 g/mol, XLogP of 7.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 10672736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).