4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide

C23H27N5O4 — CID 36766061

IUPAC4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H27N5O4/c1-4-27(5-2)18-13-11-16(12-14-18)20(30)26-25-19(29)15-28-21(31)23(3,24-22(28)32)17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3,(H,24,32)(H,25,29)(H,26,30)/t23-/m0/s1
InChIKeyNHXDSAAVQXSEDS-QHCPKHFHSA-N
MW437.50 g/mol
LogP1.76
Rot. Bonds7

About 4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide

4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide (PubChem CID 36766061) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide
PubChem CID36766061
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H27N5O4/c1-4-27(5-2)18-13-11-16(12-14-18)20(30)26-25-19(29)15-28-21(31)23(3,24-22(28)32)17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3,(H,24,32)(H,25,29)(H,26,30)/t23-/m0/s1
InChIKeyNHXDSAAVQXSEDS-QHCPKHFHSA-N
XLogP1.76
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide
CID 26865674
2-fluoro-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]benzohydrazide
CID 25162375
2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide
CID 24981566
4-ethyl-N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]benzohydrazide
CID 24978772
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
N-ethyl-N-(4-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 78561438
N-[[4-(dimethylamino)phenyl]methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 97090099
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 2580426
N-(4-bromophenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580352
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-ynylacetamide
CID 42891284
N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 47094160
3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide
CID 40943642

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide?
The IUPAC name of 4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide (CID 36766061) is 4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for 4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide?
The canonical SMILES for 4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide?
The InChIKey is NHXDSAAVQXSEDS-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-4-27(5-2)18-13-11-16(12-14-18)20(30)26-25-19(29)15-28-21(31)23(3,24-22(28)32)17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3,(H,24,32)(H,25,29)(H,26,30)/t23-/m0/s1.
What are the key properties of 4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide?
4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide has a molecular weight of 437.50 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N'-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 36766061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).