5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one

C13H12BrN3O2 — CID 84604694

IUPAC5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3nc(CCO)[nH]c3Br)ccc2N1
InChIInChI=1S/C13H12BrN3O2/c14-13-12(16-10(17-13)3-4-18)7-1-2-9-8(5-7)6-11(19)15-9/h1-2,5,18H,3-4,6H2,(H,15,19)(H,16,17)
InChIKeyRUADEVNRVBFHAF-UHFFFAOYSA-N
MW322.16 g/mol
LogP1.87
Rot. Bonds3

About 5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one

5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 84604694) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID84604694
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3nc(CCO)[nH]c3Br)ccc2N1
InChIInChI=1S/C13H12BrN3O2/c14-13-12(16-10(17-13)3-4-18)7-1-2-9-8(5-7)6-11(19)15-9/h1-2,5,18H,3-4,6H2,(H,15,19)(H,16,17)
InChIKeyRUADEVNRVBFHAF-UHFFFAOYSA-N
XLogP1.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(2-aminoethyl)-5-bromo-1H-imidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 84610358
2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol
CID 84610434
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
CID 82482165
5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one
CID 116831905
5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 116880898
5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one
CID 116828739
5-[2-(aminomethyl)-5-bromo-1H-imidazol-4-yl]-1-methyl-3H-indol-2-one
CID 84604527
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963
2-[5-(2-oxo-1,3-dihydroindol-5-yl)-1,2-oxazol-3-yl]acetic acid
CID 82483292
4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid
CID 82482166
5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 82293405

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one (CID 84604694) is 5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3nc(CCO)[nH]c3Br)ccc2N1.
What is the InChIKey of 5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is RUADEVNRVBFHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c14-13-12(16-10(17-13)3-4-18)7-1-2-9-8(5-7)6-11(19)15-9/h1-2,5,18H,3-4,6H2,(H,15,19)(H,16,17).
What are the key properties of 5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one?
5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 322.16 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 84604694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).