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

C23H25N5O3 — CID 9321888

IUPAC(5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
SMILESCOc1cccc([C@]2(C)NC(=O)N(CN(C)Cc3cnn(-c4ccccc4)c3)C2=O)c1
InChIInChI=1S/C23H25N5O3/c1-23(18-8-7-11-20(12-18)31-3)21(29)27(22(30)25-23)16-26(2)14-17-13-24-28(15-17)19-9-5-4-6-10-19/h4-13,15H,14,16H2,1-3H3,(H,25,30)/t23-/m0/s1
InChIKeyPXEQUKKZIRRVFG-QHCPKHFHSA-N
MW419.49 g/mol
LogP2.74
Rot. Bonds7

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

(5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione (PubChem CID 9321888) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is (5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
PubChem CID9321888
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name(5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
SMILESCOc1cccc([C@]2(C)NC(=O)N(CN(C)Cc3cnn(-c4ccccc4)c3)C2=O)c1
InChIInChI=1S/C23H25N5O3/c1-23(18-8-7-11-20(12-18)31-3)21(29)27(22(30)25-23)16-26(2)14-17-13-24-28(15-17)19-9-5-4-6-10-19/h4-13,15H,14,16H2,1-3H3,(H,25,30)/t23-/m0/s1
InChIKeyPXEQUKKZIRRVFG-QHCPKHFHSA-N
XLogP2.74
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
CID 31939405
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione
CID 9318746
3-[[benzyl(methyl)amino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4215276
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 47094696
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112808146
N-cyclopropyl-2-[[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]acetamide
CID 9286027
N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 92786816
(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31565993
1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
CID 56883576
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 40620869
(5R)-3-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41096881
2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 25497659

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione (CID 9321888) is (5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione is COc1cccc([C@]2(C)NC(=O)N(CN(C)Cc3cnn(-c4ccccc4)c3)C2=O)c1.
What is the InChIKey of (5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
The InChIKey is PXEQUKKZIRRVFG-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-23(18-8-7-11-20(12-18)31-3)21(29)27(22(30)25-23)16-26(2)14-17-13-24-28(15-17)19-9-5-4-6-10-19/h4-13,15H,14,16H2,1-3H3,(H,25,30)/t23-/m0/s1.
What are the key properties of (5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione?
(5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione has a molecular weight of 419.49 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 9321888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).