N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C25H26N6O5 — CID 55463967

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C25H26N6O5/c1-16-21(17(2)30(28-16)14-18-7-5-4-6-8-18)13-26-22(32)15-29-23(33)25(3,27-24(29)34)19-9-11-20(12-10-19)31(35)36/h4-12H,13-15H2,1-3H3,(H,26,32)(H,27,34)
InChIKeyFIUHJDOPCQBXHL-UHFFFAOYSA-N
MW490.52 g/mol
LogP2.54
Rot. Bonds8

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55463967) has the molecular formula C25H26N6O5 and a molecular weight of 490.52 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55463967
Molecular FormulaC25H26N6O5
Molecular Weight490.52 g/mol
Exact Mass490.20
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C25H26N6O5/c1-16-21(17(2)30(28-16)14-18-7-5-4-6-8-18)13-26-22(32)15-29-23(33)25(3,27-24(29)34)19-9-11-20(12-10-19)31(35)36/h4-12H,13-15H2,1-3H3,(H,26,32)(H,27,34)
InChIKeyFIUHJDOPCQBXHL-UHFFFAOYSA-N
XLogP2.54
TPSA139.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55530375
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43036621
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41325009
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)urea
CID 27870291
methyl 4-[[[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 40856448
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24551735
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180175
2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 41052245
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-benzyl-2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138694
N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180369

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55463967) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is FIUHJDOPCQBXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O5/c1-16-21(17(2)30(28-16)14-18-7-5-4-6-8-18)13-26-22(32)15-29-23(33)25(3,27-24(29)34)19-9-11-20(12-10-19)31(35)36/h4-12H,13-15H2,1-3H3,(H,26,32)(H,27,34).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 490.52 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55463967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).