4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide

C20H16BrN5O3 — CID 55635640

IUPAC4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C20H16BrN5O3/c21-15-9-23-26(12-15)17-6-4-14(5-7-17)19(28)24-16-3-1-2-13(8-16)11-25-18(27)10-22-20(25)29/h1-9,12H,10-11H2,(H,22,29)(H,24,28)
InChIKeyIWZOHAYLAAFYNM-UHFFFAOYSA-N
MW454.28 g/mol
LogP2.94
Rot. Bonds5

About 4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide

4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide (PubChem CID 55635640) has the molecular formula C20H16BrN5O3 and a molecular weight of 454.28 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
PubChem CID55635640
Molecular FormulaC20H16BrN5O3
Molecular Weight454.28 g/mol
Exact Mass453.04
IUPAC Name4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C20H16BrN5O3/c21-15-9-23-26(12-15)17-6-4-14(5-7-17)19(28)24-16-3-1-2-13(8-16)11-25-18(27)10-22-20(25)29/h1-9,12H,10-11H2,(H,22,29)(H,24,28)
InChIKeyIWZOHAYLAAFYNM-UHFFFAOYSA-N
XLogP2.94
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.28
LogP ≤ 52.94
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

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55617109
4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46438099
4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 60509721
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 39592143
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55617249
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 55765069
[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33076527
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-quinolin-3-ylbenzamide
CID 29331146
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide
CID 55617368
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 71889492

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide (CID 55635640) is 4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide is O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide?
The InChIKey is IWZOHAYLAAFYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O3/c21-15-9-23-26(12-15)17-6-4-14(5-7-17)19(28)24-16-3-1-2-13(8-16)11-25-18(27)10-22-20(25)29/h1-9,12H,10-11H2,(H,22,29)(H,24,28).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide?
4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 454.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 55635640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).