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

C22H22BrN5O2 — CID 17425594

IUPAC5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
SMILESCN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)NC(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)
InChIKeyNVERQPBBHYRXSA-UHFFFAOYSA-N
MW468.36 g/mol
LogP3.49
Rot. Bonds6

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

5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione (PubChem CID 17425594) has the molecular formula C22H22BrN5O2 and a molecular weight of 468.36 g/mol. Its IUPAC name is 5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
PubChem CID17425594
Molecular FormulaC22H22BrN5O2
Molecular Weight468.36 g/mol
Exact Mass467.10
IUPAC Name5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
SMILESCN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)NC(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)
InChIKeyNVERQPBBHYRXSA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione (CID 17425594) is 5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 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)NC(C)(c2ccccc2Br)C1=O.
What is the InChIKey of 5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
The InChIKey is NVERQPBBHYRXSA-UHFFFAOYSA-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).
What are the key properties of 5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
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 5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 17425594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).