2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide

C19H18N4O5 — CID 55530375

IUPAC2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C19H18N4O5/c1-19(14-5-3-2-4-6-14)17(25)22(18(26)21-19)12-16(24)20-11-13-7-9-15(10-8-13)23(27)28/h2-10H,11-12H2,1H3,(H,20,24)(H,21,26)
InChIKeyBRUCMBPVTMPLRY-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.68
Rot. Bonds6

About 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide

2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide (PubChem CID 55530375) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
PubChem CID55530375
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C19H18N4O5/c1-19(14-5-3-2-4-6-14)17(25)22(18(26)21-19)12-16(24)20-11-13-7-9-15(10-8-13)23(27)28/h2-10H,11-12H2,1H3,(H,20,24)(H,21,26)
InChIKeyBRUCMBPVTMPLRY-UHFFFAOYSA-N
XLogP1.68
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl 4-[[[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 40856448
N-[[4-(dimethylamino)phenyl]methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 97090099
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55463967
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801
N-benzyl-2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138694
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55684983
N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180369
2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24565834
N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180228
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-ynylacetamide
CID 42891284
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180175

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide (CID 55530375) is 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide is CC1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The InChIKey is BRUCMBPVTMPLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-19(14-5-3-2-4-6-14)17(25)22(18(26)21-19)12-16(24)20-11-13-7-9-15(10-8-13)23(27)28/h2-10H,11-12H2,1H3,(H,20,24)(H,21,26).
What are the key properties of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide has a molecular weight of 382.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 55530375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).