N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide

C19H21N5O3 — CID 10361601

IUPACN-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2C(=O)NC(Cc3ccc(NN)cc3)C2=O)cc1
InChIInChI=1S/C19H21N5O3/c1-12(25)21-15-6-4-14(5-7-15)11-24-18(26)17(22-19(24)27)10-13-2-8-16(23-20)9-3-13/h2-9,17,23H,10-11,20H2,1H3,(H,21,25)(H,22,27)
InChIKeyNVIUKHDLTOCOOM-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.59
Rot. Bonds6

About N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide (PubChem CID 10361601) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide
PubChem CID10361601
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2C(=O)NC(Cc3ccc(NN)cc3)C2=O)cc1
InChIInChI=1S/C19H21N5O3/c1-12(25)21-15-6-4-14(5-7-15)11-24-18(26)17(22-19(24)27)10-13-2-8-16(23-20)9-3-13/h2-9,17,23H,10-11,20H2,1H3,(H,21,25)(H,22,27)
InChIKeyNVIUKHDLTOCOOM-UHFFFAOYSA-N
XLogP1.59
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-hydrazinylphenyl)methyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 10019154
methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 4601141
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356866
4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 40988261
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2090381
N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638918
N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide
CID 75498380
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2118924
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51864031
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid
CID 105345329

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide (CID 10361601) is N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2C(=O)NC(Cc3ccc(NN)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is NVIUKHDLTOCOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12(25)21-15-6-4-14(5-7-15)11-24-18(26)17(22-19(24)27)10-13-2-8-16(23-20)9-3-13/h2-9,17,23H,10-11,20H2,1H3,(H,21,25)(H,22,27).
What are the key properties of N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 10361601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).