2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C23H22BrN5O3 — CID 97090086

IUPAC2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C23H22BrN5O3/c1-23(17-7-6-8-18(24)11-17)21(31)28(22(32)26-23)15-20(30)27(2)13-16-12-25-29(14-16)19-9-4-3-5-10-19/h3-12,14H,13,15H2,1-2H3,(H,26,32)/t23-/m0/s1
InChIKeyWCISMAHDIXWXIO-QHCPKHFHSA-N
MW496.37 g/mol
LogP3.06
Rot. Bonds6

About 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 97090086) has the molecular formula C23H22BrN5O3 and a molecular weight of 496.37 g/mol. Its IUPAC name is 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID97090086
Molecular FormulaC23H22BrN5O3
Molecular Weight496.37 g/mol
Exact Mass495.09
IUPAC Name2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C23H22BrN5O3/c1-23(17-7-6-8-18(24)11-17)21(31)28(22(32)26-23)15-20(30)27(2)13-16-12-25-29(14-16)19-9-4-3-5-10-19/h3-12,14H,13,15H2,1-2H3,(H,26,32)/t23-/m0/s1
InChIKeyWCISMAHDIXWXIO-QHCPKHFHSA-N
XLogP3.06
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,4-imidazolidinedione
CID 660311
(5r)-5-[3-(4-Fluorophenyl)-1-Phenyl-1h-Pyrazol-4-Yl]imidazolidine-2,4-Dione
CID 948334
(5S)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]imidazolidine-2,4-dione
CID 948333
N-[(E)-1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-3-[3-(dimethylamino)propylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 2131991
3-[(1,3-Diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7704876
3-[(4-Pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 29473324
5-[1-(3-Aminophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]imidazolidine-2,4-dione
CID 169687280
5-[1-(4-Aminophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]imidazolidine-2,4-dione
CID 169687281
5-[3-(4-Fluorophenyl)-1-[3-(octylamino)phenyl]pyrazol-4-yl]imidazolidine-2,4-dione
CID 169687291
5-[5-Bromo-3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]imidazolidine-2,4-dione
CID 169955572
N-[3-[4-(2,5-dioxoimidazolidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]phenyl]octanamide
CID 169955576
5-[3-(4-Fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]imidazolidine-2,4-dione
CID 169956508

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 97090086) is 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O.
What is the InChIKey of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is WCISMAHDIXWXIO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H22BrN5O3/c1-23(17-7-6-8-18(24)11-17)21(31)28(22(32)26-23)15-20(30)27(2)13-16-12-25-29(14-16)19-9-4-3-5-10-19/h3-12,14H,13,15H2,1-2H3,(H,26,32)/t23-/m0/s1.
What are the key properties of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 496.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 97090086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).