5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione

C17H17N5O4 — CID 151692288

IUPAC5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
SMILESCC(=O)n1cnc(CC2NC(=O)N(c3ccc(C(C)=NO)cc3)C2=O)c1
InChIInChI=1S/C17H17N5O4/c1-10(20-26)12-3-5-14(6-4-12)22-16(24)15(19-17(22)25)7-13-8-21(9-18-13)11(2)23/h3-6,8-9,15,26H,7H2,1-2H3,(H,19,25)
InChIKeyRCVFFMPRTFPOJM-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.41
Rot. Bonds4

About 5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione

5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione (PubChem CID 151692288) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
PubChem CID151692288
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
SMILESCC(=O)n1cnc(CC2NC(=O)N(c3ccc(C(C)=NO)cc3)C2=O)c1
InChIInChI=1S/C17H17N5O4/c1-10(20-26)12-3-5-14(6-4-12)22-16(24)15(19-17(22)25)7-13-8-21(9-18-13)11(2)23/h3-6,8-9,15,26H,7H2,1-2H3,(H,19,25)
InChIKeyRCVFFMPRTFPOJM-UHFFFAOYSA-N
XLogP1.41
TPSA116.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
CID 152763908
2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 88660154
S-[[1-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,5-dioxoimidazolidin-4-yl]methyl] ethanethioate
CID 152763907
5-[(1-acetylindol-3-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
CID 152763905
(3aS,7aS)-2-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7659268
(3aR,7aS)-2-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7659267
1-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyrrole-2,5-dione
CID 4124115
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyrrole-2,5-dione
CID 6015796
[4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate
CID 70431417
4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide
CID 70432504
2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate
CID 4062868
2-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 171396123

Frequently Asked Questions

What is the IUPAC name of 5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione (CID 151692288) is 5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione is CC(=O)n1cnc(CC2NC(=O)N(c3ccc(C(C)=NO)cc3)C2=O)c1.
What is the InChIKey of 5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is RCVFFMPRTFPOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-10(20-26)12-3-5-14(6-4-12)22-16(24)15(19-17(22)25)7-13-8-21(9-18-13)11(2)23/h3-6,8-9,15,26H,7H2,1-2H3,(H,19,25).
What are the key properties of 5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?
5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 355.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 151692288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).