5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione

C29H30N4O3 — CID 10412986

IUPAC5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCN(C)CCc1c[nH]c2ccc(CC3NC(=O)N(Cc4ccc(Oc5ccccc5)cc4)C3=O)cc12
InChIInChI=1S/C29H30N4O3/c1-32(2)15-14-22-18-30-26-13-10-21(16-25(22)26)17-27-28(34)33(29(35)31-27)19-20-8-11-24(12-9-20)36-23-6-4-3-5-7-23/h3-13,16,18,27,30H,14-15,17,19H2,1-2H3,(H,31,35)
InChIKeyLSYXOPPJMZUQIF-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.73
Rot. Bonds9

About 5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione

5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 10412986) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID10412986
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCN(C)CCc1c[nH]c2ccc(CC3NC(=O)N(Cc4ccc(Oc5ccccc5)cc4)C3=O)cc12
InChIInChI=1S/C29H30N4O3/c1-32(2)15-14-22-18-30-26-13-10-21(16-25(22)26)17-27-28(34)33(29(35)31-27)19-20-8-11-24(12-9-20)36-23-6-4-3-5-7-23/h3-13,16,18,27,30H,14-15,17,19H2,1-2H3,(H,31,35)
InChIKeyLSYXOPPJMZUQIF-UHFFFAOYSA-N
XLogP4.73
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
CID 10322070
(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
4-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide;but-2-enedioic acid
CID 70382763
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 75357106
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrofluoride
CID 71478513
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methylimidazolidine-2,4-dione
CID 10469232
2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
CID 19042892
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3,4-dihydropyrrol-2-one
CID 141267623
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 125434004
4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 24606105

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione (CID 10412986) is 5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione is CN(C)CCc1c[nH]c2ccc(CC3NC(=O)N(Cc4ccc(Oc5ccccc5)cc4)C3=O)cc12.
What is the InChIKey of 5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is LSYXOPPJMZUQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-32(2)15-14-22-18-30-26-13-10-21(16-25(22)26)17-27-28(34)33(29(35)31-27)19-20-8-11-24(12-9-20)36-23-6-4-3-5-7-23/h3-13,16,18,27,30H,14-15,17,19H2,1-2H3,(H,31,35).
What are the key properties of 5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione?
5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 482.58 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10412986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).