1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione

C26H23N5O3S — CID 24510574

IUPAC1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)C(=O)N(Cc2cccs2)C1=O
InChIInChI=1S/C26H23N5O3S/c1-28(18-30-25(33)24(32)29(26(30)34)17-22-13-8-14-35-22)15-20-16-31(21-11-6-3-7-12-21)27-23(20)19-9-4-2-5-10-19/h2-14,16H,15,17-18H2,1H3
InChIKeyONBFEEZGGDNYMP-UHFFFAOYSA-N
MW485.57 g/mol
LogP3.98
Rot. Bonds8

About 1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione

1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 24510574) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is 1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID24510574
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC Name1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)C(=O)N(Cc2cccs2)C1=O
InChIInChI=1S/C26H23N5O3S/c1-28(18-30-25(33)24(32)29(26(30)34)17-22-13-8-14-35-22)15-20-16-31(21-11-6-3-7-12-21)27-23(20)19-9-4-2-5-10-19/h2-14,16H,15,17-18H2,1H3
InChIKeyONBFEEZGGDNYMP-UHFFFAOYSA-N
XLogP3.98
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 8601337
N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine
CID 9331790
(5R,6S)-3-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30014671
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine
CID 60501613
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 54579774
2-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol
CID 25479704
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 17407874
3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide
CID 34708687
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 9437010

Frequently Asked Questions

What is the IUPAC name of 1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione (CID 24510574) is 1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)C(=O)N(Cc2cccs2)C1=O.
What is the InChIKey of 1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is ONBFEEZGGDNYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-28(18-30-25(33)24(32)29(26(30)34)17-22-13-8-14-35-22)15-20-16-31(21-11-6-3-7-12-21)27-23(20)19-9-4-2-5-10-19/h2-14,16H,15,17-18H2,1H3.
What are the key properties of 1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 485.57 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 24510574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).