1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one

C14H14BrN3O2 — CID 168664274

IUPAC1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C14H14BrN3O2/c15-11-3-1-10(2-4-11)12-6-16-14(17-12)18-7-9(8-19)5-13(18)20/h1-4,6,9,19H,5,7-8H2,(H,16,17)
InChIKeyWSGBZRYXGWEOQD-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.18
Rot. Bonds3

About 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168664274) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168664274
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C14H14BrN3O2/c15-11-3-1-10(2-4-11)12-6-16-14(17-12)18-7-9(8-19)5-13(18)20/h1-4,6,9,19H,5,7-8H2,(H,16,17)
InChIKeyWSGBZRYXGWEOQD-UHFFFAOYSA-N
XLogP2.18
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
1-(2-amino-5-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663950
S-[5-oxo-1-(5-phenyl-1H-imidazol-2-yl)pyrrolidin-3-yl] ethanethioate
CID 168707416
1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663955
1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663841
4-(hydroxymethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168662640
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663927
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
4-(hydroxymethyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pyrrolidin-2-one
CID 166365379
1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664180
5-bromo-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168663637
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 168664274) is 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is WSGBZRYXGWEOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-11-3-1-10(2-4-11)12-6-16-14(17-12)18-7-9(8-19)5-13(18)20/h1-4,6,9,19H,5,7-8H2,(H,16,17).
What are the key properties of 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 336.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168664274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).