3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

C21H16BrN5O3 — CID 2997618

IUPAC3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C21H16BrN5O3/c22-15-7-3-1-6-14(15)19-26-25-18(30-19)11-27-20(28)17(24-21(27)29)9-12-10-23-16-8-4-2-5-13(12)16/h1-8,10,17,23H,9,11H2,(H,24,29)
InChIKeyILHMTMWXYWXMQU-UHFFFAOYSA-N
MW466.30 g/mol
LogP3.64
Rot. Bonds5

About 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 2997618) has the molecular formula C21H16BrN5O3 and a molecular weight of 466.30 g/mol. Its IUPAC name is 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID2997618
Molecular FormulaC21H16BrN5O3
Molecular Weight466.30 g/mol
Exact Mass465.04
IUPAC Name3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C21H16BrN5O3/c22-15-7-3-1-6-14(15)19-26-25-18(30-19)11-27-20(28)17(24-21(27)29)9-12-10-23-16-8-4-2-5-13(12)16/h1-8,10,17,23H,9,11H2,(H,24,29)
InChIKeyILHMTMWXYWXMQU-UHFFFAOYSA-N
XLogP3.64
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 9208133
(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
(5R)-5-(1H-indol-3-ylmethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2114779
(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
(5S)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 11744729
4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 24606105
(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 51532327
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 41074524
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 17401318
(2R)-3-amino-2-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]but-3-enenitrile
CID 2426481
methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 38828547
(5R)-5-(1H-indol-3-ylmethyl)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2442754

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (CID 2997618) is 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is ILHMTMWXYWXMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN5O3/c22-15-7-3-1-6-14(15)19-26-25-18(30-19)11-27-20(28)17(24-21(27)29)9-12-10-23-16-8-4-2-5-13(12)16/h1-8,10,17,23H,9,11H2,(H,24,29).
What are the key properties of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 466.30 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2997618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).