2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide

C18H18N4O5 — CID 24981566

IUPAC2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C18H18N4O5/c1-11-13(8-9-27-11)15(24)21-20-14(23)10-22-16(25)18(2,19-17(22)26)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,26)(H,20,23)(H,21,24)
InChIKeyBVUZYPLVBJBLPH-UHFFFAOYSA-N
MW370.37 g/mol
LogP0.82
Rot. Bonds4

About 2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide

2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide (PubChem CID 24981566) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide
PubChem CID24981566
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C18H18N4O5/c1-11-13(8-9-27-11)15(24)21-20-14(23)10-22-16(25)18(2,19-17(22)26)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,26)(H,20,23)(H,21,24)
InChIKeyBVUZYPLVBJBLPH-UHFFFAOYSA-N
XLogP0.82
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide (CID 24981566) is 2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O.
What is the InChIKey of 2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide?
The InChIKey is BVUZYPLVBJBLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-11-13(8-9-27-11)15(24)21-20-14(23)10-22-16(25)18(2,19-17(22)26)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,26)(H,20,23)(H,21,24).
What are the key properties of 2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide?
2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide has a molecular weight of 370.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide is sourced from PubChem (CID 24981566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).