1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione

C14H17ClN2O2 — CID 59834705

IUPAC1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1C(=O)N(C)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-9(2)12-13(18)16(3)14(19)17(12)8-10-4-6-11(15)7-5-10/h4-7,9,12H,8H2,1-3H3
InChIKeyGAGVPGPRLSAZGP-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.76
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione

1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 59834705) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID59834705
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1C(=O)N(C)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-9(2)12-13(18)16(3)14(19)17(12)8-10-4-6-11(15)7-5-10/h4-7,9,12H,8H2,1-3H3
InChIKeyGAGVPGPRLSAZGP-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione (CID 59834705) is 1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1C(=O)N(C)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is GAGVPGPRLSAZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(2)12-13(18)16(3)14(19)17(12)8-10-4-6-11(15)7-5-10/h4-7,9,12H,8H2,1-3H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione?
1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 280.75 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 59834705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).