(5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione

C22H22BrN5O2 — CID 31939401

IUPAC(5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
SMILESCN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O
InChIInChI=1S/C22H22BrN5O2/c1-22(18-10-6-7-11-19(18)23)20(29)27(21(30)25-22)15-26(2)13-16-12-24-28(14-16)17-8-4-3-5-9-17/h3-12,14H,13,15H2,1-2H3,(H,25,30)/t22-/m0/s1
InChIKeyNVERQPBBHYRXSA-QFIPXVFZSA-N
MW468.36 g/mol
LogP3.49
Rot. Bonds6

About (5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione

(5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione (PubChem CID 31939401) has the molecular formula C22H22BrN5O2 and a molecular weight of 468.36 g/mol. Its IUPAC name is (5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
PubChem CID31939401
Molecular FormulaC22H22BrN5O2
Molecular Weight468.36 g/mol
Exact Mass467.10
IUPAC Name(5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
SMILESCN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O
InChIInChI=1S/C22H22BrN5O2/c1-22(18-10-6-7-11-19(18)23)20(29)27(21(30)25-22)15-26(2)13-16-12-24-28(14-16)17-8-4-3-5-9-17/h3-12,14H,13,15H2,1-2H3,(H,25,30)/t22-/m0/s1
InChIKeyNVERQPBBHYRXSA-QFIPXVFZSA-N
XLogP3.49
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 53.49
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 (5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione (CID 31939401) is (5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione is CN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O.
What is the InChIKey of (5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
The InChIKey is NVERQPBBHYRXSA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22BrN5O2/c1-22(18-10-6-7-11-19(18)23)20(29)27(21(30)25-22)15-26(2)13-16-12-24-28(14-16)17-8-4-3-5-9-17/h3-12,14H,13,15H2,1-2H3,(H,25,30)/t22-/m0/s1.
What are the key properties of (5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
(5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione has a molecular weight of 468.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 31939401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).