6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole

C20H14BrN5 — CID 146459786

IUPAC6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole
SMILESBrc1ccc2cc(-c3nn[nH]n3)n(Cc3cccc4ccccc34)c2c1
InChIInChI=1S/C20H14BrN5/c21-16-9-8-14-10-19(20-22-24-25-23-20)26(18(14)11-16)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H,22,23,24,25)
InChIKeyOVOMGCJHQAJDPU-UHFFFAOYSA-N
MW404.27 g/mol
LogP4.79
Rot. Bonds3

About 6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole

6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole (PubChem CID 146459786) has the molecular formula C20H14BrN5 and a molecular weight of 404.27 g/mol. Its IUPAC name is 6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole.

Molecular Properties

Compound Name6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole
PubChem CID146459786
Molecular FormulaC20H14BrN5
Molecular Weight404.27 g/mol
Exact Mass403.04
IUPAC Name6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole
SMILESBrc1ccc2cc(-c3nn[nH]n3)n(Cc3cccc4ccccc34)c2c1
InChIInChI=1S/C20H14BrN5/c21-16-9-8-14-10-19(20-22-24-25-23-20)26(18(14)11-16)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H,22,23,24,25)
InChIKeyOVOMGCJHQAJDPU-UHFFFAOYSA-N
XLogP4.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole?
The IUPAC name of 6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole (CID 146459786) is 6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole.
What is the SMILES notation for 6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole?
The canonical SMILES for 6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole is Brc1ccc2cc(-c3nn[nH]n3)n(Cc3cccc4ccccc34)c2c1.
What is the InChIKey of 6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole?
The InChIKey is OVOMGCJHQAJDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN5/c21-16-9-8-14-10-19(20-22-24-25-23-20)26(18(14)11-16)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H,22,23,24,25).
What are the key properties of 6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole?
6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole has a molecular weight of 404.27 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole is sourced from PubChem (CID 146459786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).