3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione

C24H24N4O2 — CID 175965789

IUPAC3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione
SMILESCC(C)c1[nH]c(Cc2ccc(-c3ccccc3)cc2)nc1C=C1NC(=O)CNC1=O
InChIInChI=1S/C24H24N4O2/c1-15(2)23-19(13-20-24(30)25-14-22(29)27-20)26-21(28-23)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,13,15H,12,14H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyGCKXIJYOQXXZLJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.38
Rot. Bonds5

About 3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione

3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione (PubChem CID 175965789) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione
PubChem CID175965789
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione
SMILESCC(C)c1[nH]c(Cc2ccc(-c3ccccc3)cc2)nc1C=C1NC(=O)CNC1=O
InChIInChI=1S/C24H24N4O2/c1-15(2)23-19(13-20-24(30)25-14-22(29)27-20)26-21(28-23)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,13,15H,12,14H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyGCKXIJYOQXXZLJ-UHFFFAOYSA-N
XLogP3.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[(3,5-dimethoxyphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione
CID 175965728
1-acetyl-3-[(2-benzyl-1-chloro-5-propan-2-ylimidazol-4-yl)methylidene]piperazine-2,5-dione
CID 175511858
1-acetyl-3-[(2-benzyl-1-fluoro-5-propan-2-ylimidazol-4-yl)methylidene]piperazine-2,5-dione
CID 175511877
aziridin-2-one;naphthalene
CID 20975737
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-benzyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890522
5-(4-phenylbutyl)-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721214
1-(2-hydroxy-6-phenylhexan-3-yl)-6-[(4-phenylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135702860
4-(4-methylphenyl)-5-propan-2-yl-1H-imidazole-2-carbaldehyde
CID 105485729
4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide
CID 167909516
benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
CID 160824127
3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione
CID 175965763

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione?
The IUPAC name of 3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione (CID 175965789) is 3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione.
What is the SMILES notation for 3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione?
The canonical SMILES for 3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione is CC(C)c1[nH]c(Cc2ccc(-c3ccccc3)cc2)nc1C=C1NC(=O)CNC1=O.
What is the InChIKey of 3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione?
The InChIKey is GCKXIJYOQXXZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15(2)23-19(13-20-24(30)25-14-22(29)27-20)26-21(28-23)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,13,15H,12,14H2,1-2H3,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of 3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione?
3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione has a molecular weight of 400.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-phenylphenyl)methyl]-5-propan-2-yl-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione is sourced from PubChem (CID 175965789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).