(4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole

C50H41IN4 — CID 135029345

IUPAC(4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole
SMILESIc1c(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2Cc2ccccc2)cccc1C1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C50H41IN4/c51-44-42(49-52-45(38-24-11-3-12-25-38)47(40-28-15-5-16-29-40)54(49)34-36-20-7-1-8-21-36)32-19-33-43(44)50-53-46(39-26-13-4-14-27-39)48(41-30-17-6-18-31-41)55(50)35-37-22-9-2-10-23-37/h1-33,45-48H,34-35H2/t45-,46-,47-,48-/m1/s1
InChIKeyPOMRYBBKSOUCBM-MABAWHDTSA-N
MW824.81 g/mol
LogP11.78
Rot. Bonds10

About (4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole

(4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole (PubChem CID 135029345) has the molecular formula C50H41IN4 and a molecular weight of 824.81 g/mol. Its IUPAC name is (4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole
PubChem CID135029345
Molecular FormulaC50H41IN4
Molecular Weight824.81 g/mol
Exact Mass824.24
IUPAC Name(4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole
SMILESIc1c(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2Cc2ccccc2)cccc1C1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C50H41IN4/c51-44-42(49-52-45(38-24-11-3-12-25-38)47(40-28-15-5-16-29-40)54(49)34-36-20-7-1-8-21-36)32-19-33-43(44)50-53-46(39-26-13-4-14-27-39)48(41-30-17-6-18-31-41)55(50)35-37-22-9-2-10-23-37/h1-33,45-48H,34-35H2/t45-,46-,47-,48-/m1/s1
InChIKeyPOMRYBBKSOUCBM-MABAWHDTSA-N
XLogP11.78
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.81
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole with MolForge

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Related Compounds

(4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole
CID 53243818
(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043
ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
CID 70999194
(3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone
CID 563948
(2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
CID 11382638
(4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene
CID 11429909
(4R,5R)-2-(2-fluorophenyl)-1,4,5-triphenyl-4,5-dihydroimidazole
CID 135049713
(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide
CID 138962724
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole
CID 139040757
(1R,2S,5S)-3-benzyl-2-phenyl-3-azabicyclo[3.1.0]hexane
CID 10857864
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole?
The IUPAC name of (4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole (CID 135029345) is (4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole.
What is the SMILES notation for (4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole?
The canonical SMILES for (4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole is Ic1c(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2Cc2ccccc2)cccc1C1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole?
The InChIKey is POMRYBBKSOUCBM-MABAWHDTSA-N. The full InChI is InChI=1S/C50H41IN4/c51-44-42(49-52-45(38-24-11-3-12-25-38)47(40-28-15-5-16-29-40)54(49)34-36-20-7-1-8-21-36)32-19-33-43(44)50-53-46(39-26-13-4-14-27-39)48(41-30-17-6-18-31-41)55(50)35-37-22-9-2-10-23-37/h1-33,45-48H,34-35H2/t45-,46-,47-,48-/m1/s1.
What are the key properties of (4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole?
(4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole has a molecular weight of 824.81 g/mol, XLogP of 11.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole is sourced from PubChem (CID 135029345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).