2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione

C18H15N5O3 — CID 17452041

IUPAC2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione
SMILESCOc1cccc(-c2nnn(CCN3C(=O)c4ccccc4C3=O)n2)c1
InChIInChI=1S/C18H15N5O3/c1-26-13-6-4-5-12(11-13)16-19-21-23(20-16)10-9-22-17(24)14-7-2-3-8-15(14)18(22)25/h2-8,11H,9-10H2,1H3
InChIKeyVLSRPQMXSWFLCF-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.64
Rot. Bonds5

About 2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione

2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 17452041) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione
PubChem CID17452041
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione
SMILESCOc1cccc(-c2nnn(CCN3C(=O)c4ccccc4C3=O)n2)c1
InChIInChI=1S/C18H15N5O3/c1-26-13-6-4-5-12(11-13)16-19-21-23(20-16)10-9-22-17(24)14-7-2-3-8-15(14)18(22)25/h2-8,11H,9-10H2,1H3
InChIKeyVLSRPQMXSWFLCF-UHFFFAOYSA-N
XLogP1.64
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole
CID 60592949
2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole
CID 36657770
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
CID 861082
5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
CID 99826482
2-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094
2-[2-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione
CID 69059575
2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione
CID 131850985
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
CID 36657700
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1373528
3-(4-chlorophenyl)-5-[[5-(3-methoxyphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17497344

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione (CID 17452041) is 2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione is COc1cccc(-c2nnn(CCN3C(=O)c4ccccc4C3=O)n2)c1.
What is the InChIKey of 2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is VLSRPQMXSWFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-26-13-6-4-5-12(11-13)16-19-21-23(20-16)10-9-22-17(24)14-7-2-3-8-15(14)18(22)25/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione?
2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 349.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 17452041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).