N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

C22H19FN4O5 — CID 55506822

IUPACN'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)oc2ccccc12
InChIInChI=1S/C22H19FN4O5/c1-12-15-5-3-4-6-16(15)32-18(12)19(29)26-25-17(28)11-27-20(30)22(2,24-21(27)31)13-7-9-14(23)10-8-13/h3-10H,11H2,1-2H3,(H,24,31)(H,25,28)(H,26,29)
InChIKeyMTZPJNQEWAWZJS-UHFFFAOYSA-N
MW438.42 g/mol
LogP2.11
Rot. Bonds4

About N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 55506822) has the molecular formula C22H19FN4O5 and a molecular weight of 438.42 g/mol. Its IUPAC name is N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID55506822
Molecular FormulaC22H19FN4O5
Molecular Weight438.42 g/mol
Exact Mass438.13
IUPAC NameN'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)oc2ccccc12
InChIInChI=1S/C22H19FN4O5/c1-12-15-5-3-4-6-16(15)32-18(12)19(29)26-25-17(28)11-27-20(30)22(2,24-21(27)31)13-7-9-14(23)10-8-13/h3-10H,11H2,1-2H3,(H,24,31)(H,25,28)(H,26,29)
InChIKeyMTZPJNQEWAWZJS-UHFFFAOYSA-N
XLogP2.11
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 52.11
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'}

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Related Compounds

N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 92534606
3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide
CID 46652794
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
CID 51177211
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
2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 31334048
2-methyl-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]furan-3-carbohydrazide
CID 24981567
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide
CID 46656981
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 43042915

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 55506822) is N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)oc2ccccc12.
What is the InChIKey of N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is MTZPJNQEWAWZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O5/c1-12-15-5-3-4-6-16(15)32-18(12)19(29)26-25-17(28)11-27-20(30)22(2,24-21(27)31)13-7-9-14(23)10-8-13/h3-10H,11H2,1-2H3,(H,24,31)(H,25,28)(H,26,29).
What are the key properties of N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 438.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 55506822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).