1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

C19H18BrN3O3S — CID 91819499

IUPAC1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESO=C(c1cc(Br)cs1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C19H18BrN3O3S/c20-13-10-16(27-12-13)18(25)21-8-6-14(7-9-21)22-11-17(24)23(19(22)26)15-4-2-1-3-5-15/h1-5,10,12,14H,6-9,11H2
InChIKeyFLJKHPBERQHOOR-UHFFFAOYSA-N
MW448.34 g/mol
LogP3.58
Rot. Bonds3

About 1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (PubChem CID 91819499) has the molecular formula C19H18BrN3O3S and a molecular weight of 448.34 g/mol. Its IUPAC name is 1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
PubChem CID91819499
Molecular FormulaC19H18BrN3O3S
Molecular Weight448.34 g/mol
Exact Mass447.03
IUPAC Name1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESO=C(c1cc(Br)cs1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C19H18BrN3O3S/c20-13-10-16(27-12-13)18(25)21-8-6-14(7-9-21)22-11-17(24)23(19(22)26)15-4-2-1-3-5-15/h1-5,10,12,14H,6-9,11H2
InChIKeyFLJKHPBERQHOOR-UHFFFAOYSA-N
XLogP3.58
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (CID 91819499) is 1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is O=C(c1cc(Br)cs1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1.
What is the InChIKey of 1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The InChIKey is FLJKHPBERQHOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3S/c20-13-10-16(27-12-13)18(25)21-8-6-14(7-9-21)22-11-17(24)23(19(22)26)15-4-2-1-3-5-15/h1-5,10,12,14H,6-9,11H2.
What are the key properties of 1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione has a molecular weight of 448.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 91819499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).