(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione

C32H28N6O4 — CID 92535449

IUPAC(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C32H28N6O4/c39-29-27(13-21-15-33-25-7-3-1-5-23(21)25)35-31(41)37(29)17-19-9-11-20(12-10-19)18-38-30(40)28(36-32(38)42)14-22-16-34-26-8-4-2-6-24(22)26/h1-12,15-16,27-28,33-34H,13-14,17-18H2,(H,35,41)(H,36,42)/t27-,28-/m1/s1
InChIKeyVNDUWIJJAVQMBL-VSGBNLITSA-N
MW560.61 g/mol
LogP3.98
Rot. Bonds8

About (5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione

(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 92535449) has the molecular formula C32H28N6O4 and a molecular weight of 560.61 g/mol. Its IUPAC name is (5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID92535449
Molecular FormulaC32H28N6O4
Molecular Weight560.61 g/mol
Exact Mass560.22
IUPAC Name(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C32H28N6O4/c39-29-27(13-21-15-33-25-7-3-1-5-23(21)25)35-31(41)37(29)17-19-9-11-20(12-10-19)18-38-30(40)28(36-32(38)42)14-22-16-34-26-8-4-2-6-24(22)26/h1-12,15-16,27-28,33-34H,13-14,17-18H2,(H,35,41)(H,36,42)/t27-,28-/m1/s1
InChIKeyVNDUWIJJAVQMBL-VSGBNLITSA-N
XLogP3.98
TPSA130.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.61
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 24606105
(5R)-5-(1H-indol-3-ylmethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2114779
(5S)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 11744729
(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 51532327
(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 9208133
(3R,6S)-1-benzyl-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
CID 57068910
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 47003741
(5R)-3-[2-(4-fluorophenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 2100381
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 3473430
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 124906480
3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 2997618

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione (CID 92535449) is (5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione is O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1.
What is the InChIKey of (5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is VNDUWIJJAVQMBL-VSGBNLITSA-N. The full InChI is InChI=1S/C32H28N6O4/c39-29-27(13-21-15-33-25-7-3-1-5-23(21)25)35-31(41)37(29)17-19-9-11-20(12-10-19)18-38-30(40)28(36-32(38)42)14-22-16-34-26-8-4-2-6-24(22)26/h1-12,15-16,27-28,33-34H,13-14,17-18H2,(H,35,41)(H,36,42)/t27-,28-/m1/s1.
What are the key properties of (5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 560.61 g/mol, XLogP of 3.98, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 92535449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).