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

C54H54N4 — CID 177421796

IUPAC(2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine
SMILESCC(C)(C)c1cc([C@@H]2N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2Cc2ccccc2)cc([C@@H]2N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2Cc2ccccc2)c1
InChIInChI=1S/C54H54N4/c1-54(2,3)47-35-45(52-55-48(41-26-14-6-15-27-41)50(43-30-18-8-19-31-43)57(52)37-39-22-10-4-11-23-39)34-46(36-47)53-56-49(42-28-16-7-17-29-42)51(44-32-20-9-21-33-44)58(53)38-40-24-12-5-13-25-40/h4-36,48-53,55-56H,37-38H2,1-3H3/t48-,49-,50-,51-,52-,53-/m1/s1
InChIKeyUGLWXKBRVDFSCB-BVYMUKDBSA-N
MW759.05 g/mol
LogP12.16
Rot. Bonds10

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

(2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine (PubChem CID 177421796) has the molecular formula C54H54N4 and a molecular weight of 759.05 g/mol. Its IUPAC name is (2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine.

Molecular Properties

Compound Name(2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine
PubChem CID177421796
Molecular FormulaC54H54N4
Molecular Weight759.05 g/mol
Exact Mass758.43
IUPAC Name(2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine
SMILESCC(C)(C)c1cc([C@@H]2N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2Cc2ccccc2)cc([C@@H]2N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2Cc2ccccc2)c1
InChIInChI=1S/C54H54N4/c1-54(2,3)47-35-45(52-55-48(41-26-14-6-15-27-41)50(43-30-18-8-19-31-43)57(52)37-39-22-10-4-11-23-39)34-46(36-47)53-56-49(42-28-16-7-17-29-42)51(44-32-20-9-21-33-44)58(53)38-40-24-12-5-13-25-40/h4-36,48-53,55-56H,37-38H2,1-3H3/t48-,49-,50-,51-,52-,53-/m1/s1
InChIKeyUGLWXKBRVDFSCB-BVYMUKDBSA-N
XLogP12.16
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.05
LogP ≤ 512.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylbenzene-2-id-1-yl]-4,5-diphenylimidazolidine;chloropalladium(1+)
CID 71551254
1-benzyl-2,4,5-triphenylimidazolidine
CID 12733567
(2S,4R,5R)-1-benzyl-2-[3-[(2S,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-2-iodophenyl]-4,5-diphenylimidazolidine
CID 132506504
(1S,5R)-3-benzyl-6-(3-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane
CID 166708556
(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate
CID 138980057
1-[(2S,3S)-1-benzyl-3-phenylaziridin-2-yl]ethanone
CID 23243955
(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide
CID 138962724
3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane
CID 118675183
methyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 23243948
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 110657689
2-benzyl-4-phenyltriazetidine
CID 121323485

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine?
The IUPAC name of (2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine (CID 177421796) is (2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine.
What is the SMILES notation for (2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine?
The canonical SMILES for (2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine is CC(C)(C)c1cc([C@@H]2N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2Cc2ccccc2)cc([C@@H]2N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2Cc2ccccc2)c1.
What is the InChIKey of (2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine?
The InChIKey is UGLWXKBRVDFSCB-BVYMUKDBSA-N. The full InChI is InChI=1S/C54H54N4/c1-54(2,3)47-35-45(52-55-48(41-26-14-6-15-27-41)50(43-30-18-8-19-31-43)57(52)37-39-22-10-4-11-23-39)34-46(36-47)53-56-49(42-28-16-7-17-29-42)51(44-32-20-9-21-33-44)58(53)38-40-24-12-5-13-25-40/h4-36,48-53,55-56H,37-38H2,1-3H3/t48-,49-,50-,51-,52-,53-/m1/s1.
What are the key properties of (2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine?
(2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine has a molecular weight of 759.05 g/mol, XLogP of 12.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-1-benzyl-2-[3-[(2R,4R,5R)-1-benzyl-4,5-diphenylimidazolidin-2-yl]-5-tert-butylphenyl]-4,5-diphenylimidazolidine is sourced from PubChem (CID 177421796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).