5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole

C20H13BrN4OS — CID 141114513

IUPAC5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole
SMILESBrc1c(OCc2nn[nH]n2)ccc2cc(-c3cc4ccccc4s3)ccc12
InChIInChI=1S/C20H13BrN4OS/c21-20-15-7-5-14(18-10-13-3-1-2-4-17(13)27-18)9-12(15)6-8-16(20)26-11-19-22-24-25-23-19/h1-10H,11H2,(H,22,23,24,25)
InChIKeyOQQSPBVWKQCSBG-UHFFFAOYSA-N
MW437.32 g/mol
LogP5.58
Rot. Bonds4

About 5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole

5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole (PubChem CID 141114513) has the molecular formula C20H13BrN4OS and a molecular weight of 437.32 g/mol. Its IUPAC name is 5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole
PubChem CID141114513
Molecular FormulaC20H13BrN4OS
Molecular Weight437.32 g/mol
Exact Mass436.00
IUPAC Name5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole
SMILESBrc1c(OCc2nn[nH]n2)ccc2cc(-c3cc4ccccc4s3)ccc12
InChIInChI=1S/C20H13BrN4OS/c21-20-15-7-5-14(18-10-13-3-1-2-4-17(13)27-18)9-12(15)6-8-16(20)26-11-19-22-24-25-23-19/h1-10H,11H2,(H,22,23,24,25)
InChIKeyOQQSPBVWKQCSBG-UHFFFAOYSA-N
XLogP5.58
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.32
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole with MolForge

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Related Compounds

2-[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxyacetic acid
CID 21075901
2-chrysen-2-yl-1-benzothiophene
CID 58362123
1-[2-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-3-pentylindol-1-yl]ethanone
CID 10302072
5-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-2-(2-butyl-1-benzofuran-3-yl)-1,3-oxazole
CID 11599173
5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole
CID 141062599
6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol
CID 21075903
7-(1-benzothiophen-2-yl)-4-bromo-3-methylnaphthalene-2-carboxylic acid
CID 59364297
2-(1-benzothiophen-2-yl)-9H-carbazole
CID 142748713
(2-butyl-1-benzofuran-3-yl) N-[[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-N-butylcarbamate
CID 69138611
3-(1-benzothiophen-2-yl)-5-[(2-fluorophenoxy)methyl]pyridine
CID 46044333
5-(1-benzothiophen-2-yl)-2-[4-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)phenyl]pyridine
CID 167364034
3-(1-benzothiophen-2-yl)-5-[(2-chlorophenoxy)methyl]pyridine
CID 42851650

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole?
The IUPAC name of 5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole (CID 141114513) is 5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole.
What is the SMILES notation for 5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole?
The canonical SMILES for 5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole is Brc1c(OCc2nn[nH]n2)ccc2cc(-c3cc4ccccc4s3)ccc12.
What is the InChIKey of 5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole?
The InChIKey is OQQSPBVWKQCSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4OS/c21-20-15-7-5-14(18-10-13-3-1-2-4-17(13)27-18)9-12(15)6-8-16(20)26-11-19-22-24-25-23-19/h1-10H,11H2,(H,22,23,24,25).
What are the key properties of 5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole?
5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole has a molecular weight of 437.32 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole is sourced from PubChem (CID 141114513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).