2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C18H17ClN4O5 — CID 2997604

IUPAC2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCC1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C18H17ClN4O5/c1-18(12-6-2-3-7-13(12)19)15(25)23(17(27)22-18)10-14(24)21-16(26)20-9-11-5-4-8-28-11/h2-8H,9-10H2,1H3,(H,22,27)(H2,20,21,24,26)
InChIKeyZQTHLAXGHKVHOM-UHFFFAOYSA-N
MW404.81 g/mol
LogP1.73
Rot. Bonds5

About 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2997604) has the molecular formula C18H17ClN4O5 and a molecular weight of 404.81 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2997604
Molecular FormulaC18H17ClN4O5
Molecular Weight404.81 g/mol
Exact Mass404.09
IUPAC Name2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCC1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C18H17ClN4O5/c1-18(12-6-2-3-7-13(12)19)15(25)23(17(27)22-18)10-14(24)21-16(26)20-9-11-5-4-8-28-11/h2-8H,9-10H2,1H3,(H,22,27)(H2,20,21,24,26)
InChIKeyZQTHLAXGHKVHOM-UHFFFAOYSA-N
XLogP1.73
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.81
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2997604) is 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is CC1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O.
What is the InChIKey of 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is ZQTHLAXGHKVHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O5/c1-18(12-6-2-3-7-13(12)19)15(25)23(17(27)22-18)10-14(24)21-16(26)20-9-11-5-4-8-28-11/h2-8H,9-10H2,1H3,(H,22,27)(H2,20,21,24,26).
What are the key properties of 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 404.81 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2997604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).