2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide

C21H19BrN4O3 — CID 52661750

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C21H19BrN4O3/c1-13-20(22)16-7-2-3-8-17(16)25(13)12-18(27)24-15-6-4-5-14(9-15)11-26-19(28)10-23-21(26)29/h2-9H,10-12H2,1H3,(H,23,29)(H,24,27)
InChIKeyPORULZVVIXMNHW-UHFFFAOYSA-N
MW455.31 g/mol
LogP3.40
Rot. Bonds5

About 2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide

2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide (PubChem CID 52661750) has the molecular formula C21H19BrN4O3 and a molecular weight of 455.31 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
PubChem CID52661750
Molecular FormulaC21H19BrN4O3
Molecular Weight455.31 g/mol
Exact Mass454.06
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C21H19BrN4O3/c1-13-20(22)16-7-2-3-8-17(16)25(13)12-18(27)24-15-6-4-5-14(9-15)11-26-19(28)10-23-21(26)29/h2-9H,10-12H2,1H3,(H,23,29)(H,24,27)
InChIKeyPORULZVVIXMNHW-UHFFFAOYSA-N
XLogP3.40
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 53.40
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

2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide
CID 55933821
2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617163
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(2-ethylphenoxy)acetamide
CID 55617362
2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55953512
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-(4-propan-2-ylphenyl)propanamide
CID 55853093
(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119288695
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617218
2-[(2-chlorophenyl)methoxy]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 47054953
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 37055107
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 119288678
2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 51120484

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide (CID 52661750) is 2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide is Cc1c(Br)c2ccccc2n1CC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is PORULZVVIXMNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O3/c1-13-20(22)16-7-2-3-8-17(16)25(13)12-18(27)24-15-6-4-5-14(9-15)11-26-19(28)10-23-21(26)29/h2-9H,10-12H2,1H3,(H,23,29)(H,24,27).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 455.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 52661750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).