5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one

C17H12BrN5O2 — CID 9485245

IUPAC5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)Cn3nnc(-c4ccc(Br)cc4)n3)ccc2N1
InChIInChI=1S/C17H12BrN5O2/c18-13-4-1-10(2-5-13)17-20-22-23(21-17)9-15(24)11-3-6-14-12(7-11)8-16(25)19-14/h1-7H,8-9H2,(H,19,25)
InChIKeyOWUDYHOOEKMJBD-UHFFFAOYSA-N
MW398.22 g/mol
LogP2.48
Rot. Bonds4

About 5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one

5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one (PubChem CID 9485245) has the molecular formula C17H12BrN5O2 and a molecular weight of 398.22 g/mol. Its IUPAC name is 5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
PubChem CID9485245
Molecular FormulaC17H12BrN5O2
Molecular Weight398.22 g/mol
Exact Mass397.02
IUPAC Name5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)Cn3nnc(-c4ccc(Br)cc4)n3)ccc2N1
InChIInChI=1S/C17H12BrN5O2/c18-13-4-1-10(2-5-13)17-20-22-23(21-17)9-15(24)11-3-6-14-12(7-11)8-16(25)19-14/h1-7H,8-9H2,(H,19,25)
InChIKeyOWUDYHOOEKMJBD-UHFFFAOYSA-N
XLogP2.48
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
CID 9484477
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 30822735
6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 51595719
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 137349604
5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole
CID 52727894
5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43629644
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate
CID 9388030
5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576
(3S)-5-[2-[5-(2-bromophenyl)tetrazol-2-yl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9333082
1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione
CID 110344805
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one (CID 9485245) is 5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)Cn3nnc(-c4ccc(Br)cc4)n3)ccc2N1.
What is the InChIKey of 5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one?
The InChIKey is OWUDYHOOEKMJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O2/c18-13-4-1-10(2-5-13)17-20-22-23(21-17)9-15(24)11-3-6-14-12(7-11)8-16(25)19-14/h1-7H,8-9H2,(H,19,25).
What are the key properties of 5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one?
5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one has a molecular weight of 398.22 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 9485245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).