prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate

C19H25BrN2O3 — CID 535464

IUPACprop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
SMILESC=CCOC(=O)N1C(Cc2ccc(Br)cc2)C(=O)N(C)C1C(C)(C)C
InChIInChI=1S/C19H25BrN2O3/c1-6-11-25-18(24)22-15(12-13-7-9-14(20)10-8-13)16(23)21(5)17(22)19(2,3)4/h6-10,15,17H,1,11-12H2,2-5H3
InChIKeyPCIGYDSEDCNUQW-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.83
Rot. Bonds4

About prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate

prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate (PubChem CID 535464) has the molecular formula C19H25BrN2O3 and a molecular weight of 409.32 g/mol. Its IUPAC name is prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
PubChem CID535464
Molecular FormulaC19H25BrN2O3
Molecular Weight409.32 g/mol
Exact Mass408.10
IUPAC Nameprop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
SMILESC=CCOC(=O)N1C(Cc2ccc(Br)cc2)C(=O)N(C)C1C(C)(C)C
InChIInChI=1S/C19H25BrN2O3/c1-6-11-25-18(24)22-15(12-13-7-9-14(20)10-8-13)16(23)21(5)17(22)19(2,3)4/h6-10,15,17H,1,11-12H2,2-5H3
InChIKeyPCIGYDSEDCNUQW-UHFFFAOYSA-N
XLogP3.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate (CID 535464) is prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate is C=CCOC(=O)N1C(Cc2ccc(Br)cc2)C(=O)N(C)C1C(C)(C)C.
What is the InChIKey of prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
The InChIKey is PCIGYDSEDCNUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O3/c1-6-11-25-18(24)22-15(12-13-7-9-14(20)10-8-13)16(23)21(5)17(22)19(2,3)4/h6-10,15,17H,1,11-12H2,2-5H3.
What are the key properties of prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate has a molecular weight of 409.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 5-[(4-bromophenyl)methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 535464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).