(2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine

C50H46N4 — CID 122389282

IUPAC(2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine
SMILESc1ccc(CN2[C@@H](c3cccc([C@H]4N[C@H](c5ccccc5)[C@@H](c5ccccc5)N4Cc4ccccc4)c3)N[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C50H46N4/c1-7-20-37(21-8-1)35-53-47(41-28-15-5-16-29-41)45(39-24-11-3-12-25-39)51-49(53)43-32-19-33-44(34-43)50-52-46(40-26-13-4-14-27-40)48(42-30-17-6-18-31-42)54(50)36-38-22-9-2-10-23-38/h1-34,45-52H,35-36H2/t45-,46-,47-,48-,49+,50+/m1/s1
InChIKeyOLKBNQLQQUIPTO-LFRXGIBISA-N
MW702.95 g/mol
LogP10.86
Rot. Bonds10

About (2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine

(2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine (PubChem CID 122389282) has the molecular formula C50H46N4 and a molecular weight of 702.95 g/mol. Its IUPAC name is (2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine.

Molecular Properties

Compound Name(2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine
PubChem CID122389282
Molecular FormulaC50H46N4
Molecular Weight702.95 g/mol
Exact Mass702.37
IUPAC Name(2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine
SMILESc1ccc(CN2[C@@H](c3cccc([C@H]4N[C@H](c5ccccc5)[C@@H](c5ccccc5)N4Cc4ccccc4)c3)N[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C50H46N4/c1-7-20-37(21-8-1)35-53-47(41-28-15-5-16-29-41)45(39-24-11-3-12-25-39)51-49(53)43-32-19-33-44(34-43)50-52-46(40-26-13-4-14-27-40)48(42-30-17-6-18-31-42)54(50)36-38-22-9-2-10-23-38/h1-34,45-52H,35-36H2/t45-,46-,47-,48-,49+,50+/m1/s1
InChIKeyOLKBNQLQQUIPTO-LFRXGIBISA-N
XLogP10.86
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.95
LogP ≤ 510.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine with MolForge

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Related Compounds

1,4,17,20,23,36,41,54-Octazaoctacyclo[18.18.18.16,10.111,15.125,29.130,34.143,47.148,52]dohexaconta-6(62),7,9,11,13,15(61),25(60),26,28,30,32,34(59),43(58),44,46,48,50,52(57)-octadecaene
CID 155533610
Hydantoin, 3,3'-(1,4-piperazinediyldimethylene)bis(5,5-diphenyl-2,4-dithio-
CID 3038243
(2S)-N2-[[(2S)-1-[(2S)-2-[[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenyl-propyl]amino]-3-phenyl-propyl]pyrrolidin-2-yl]methyl]-3-phenyl-propane-1,2-diamine
CID 46883224
(2S)-N2-[[(2S)-1-[(2S)-2-[[(2S)-2-(1-adamantylmethylamino)-3-phenyl-propyl]amino]-3-phenyl-propyl]pyrrolidin-2-yl]methyl]-3-phenyl-propane-1,2-diamine
CID 46883228
(2S)-3-phenyl-N2-[[(2S)-1-[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[2-(4-phenylphenyl)ethylamino]propyl]amino]propyl]pyrrolidin-2-yl]methyl]propane-1,2-diamine
CID 46883233
(4S)-3-(1-adamantylmethyl)-4-benzyl-1-[(1S)-1-benzyl-2-[(2S)-2-[[(5S)-5-benzyl-2-thioxo-imidazolidin-1-yl]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2-thione
CID 46883236
(2S)-2-benzyl-4-[(1S)-1-benzyl-2-[2-[[(2S)-2-benzylpiperazin-1-yl]methyl]pyrrolidin-1-yl]ethyl]-1-[2-(m-tolyl)ethyl]piperazine
CID 46883260
Tetrakis[[3-[(1-adamantylazaniumyl)methyl]phenyl]methyl]azanium
CID 155811978
ST50993793
CID 5071281
N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine
CID 5249063
1,1',3,3'-Tetrabenzyl-2,2'-biimidazolidine
CID 13462185
(4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine
CID 102182826

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine?
The IUPAC name of (2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine (CID 122389282) is (2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine.
What is the SMILES notation for (2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine?
The canonical SMILES for (2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine is c1ccc(CN2[C@@H](c3cccc([C@H]4N[C@H](c5ccccc5)[C@@H](c5ccccc5)N4Cc4ccccc4)c3)N[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine?
The InChIKey is OLKBNQLQQUIPTO-LFRXGIBISA-N. The full InChI is InChI=1S/C50H46N4/c1-7-20-37(21-8-1)35-53-47(41-28-15-5-16-29-41)45(39-24-11-3-12-25-39)51-49(53)43-32-19-33-44(34-43)50-52-46(40-26-13-4-14-27-40)48(42-30-17-6-18-31-42)54(50)36-38-22-9-2-10-23-38/h1-34,45-52H,35-36H2/t45-,46-,47-,48-,49+,50+/m1/s1.
What are the key properties of (2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine?
(2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine has a molecular weight of 702.95 g/mol, XLogP of 10.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]phenyl]-4,5-diphenylimidazolidine is sourced from PubChem (CID 122389282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).