1-benzyl-3-(2H-tetrazol-5-yl)indole

C16H13N5 — CID 23366817

IUPAC1-benzyl-3-(2H-tetrazol-5-yl)indole
SMILESc1ccc(Cn2cc(-c3nn[nH]n3)c3ccccc32)cc1
InChIInChI=1S/C16H13N5/c1-2-6-12(7-3-1)10-21-11-14(16-17-19-20-18-16)13-8-4-5-9-15(13)21/h1-9,11H,10H2,(H,17,18,19,20)
InChIKeyLJFAMVLXCSZPLP-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.87
Rot. Bonds3

About 1-benzyl-3-(2H-tetrazol-5-yl)indole

1-benzyl-3-(2H-tetrazol-5-yl)indole (PubChem CID 23366817) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-benzyl-3-(2H-tetrazol-5-yl)indole.

Molecular Properties

Compound Name1-benzyl-3-(2H-tetrazol-5-yl)indole
PubChem CID23366817
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name1-benzyl-3-(2H-tetrazol-5-yl)indole
SMILESc1ccc(Cn2cc(-c3nn[nH]n3)c3ccccc32)cc1
InChIInChI=1S/C16H13N5/c1-2-6-12(7-3-1)10-21-11-14(16-17-19-20-18-16)13-8-4-5-9-15(13)21/h1-9,11H,10H2,(H,17,18,19,20)
InChIKeyLJFAMVLXCSZPLP-UHFFFAOYSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2H-tetrazol-5-yl)indole?
The IUPAC name of 1-benzyl-3-(2H-tetrazol-5-yl)indole (CID 23366817) is 1-benzyl-3-(2H-tetrazol-5-yl)indole.
What is the SMILES notation for 1-benzyl-3-(2H-tetrazol-5-yl)indole?
The canonical SMILES for 1-benzyl-3-(2H-tetrazol-5-yl)indole is c1ccc(Cn2cc(-c3nn[nH]n3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-(2H-tetrazol-5-yl)indole?
The InChIKey is LJFAMVLXCSZPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-2-6-12(7-3-1)10-21-11-14(16-17-19-20-18-16)13-8-4-5-9-15(13)21/h1-9,11H,10H2,(H,17,18,19,20).
What are the key properties of 1-benzyl-3-(2H-tetrazol-5-yl)indole?
1-benzyl-3-(2H-tetrazol-5-yl)indole has a molecular weight of 275.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2H-tetrazol-5-yl)indole is sourced from PubChem (CID 23366817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).