1-benzyl-3-(2-benzyltetrazol-5-yl)indole

C23H19N5 — CID 23366847

IUPAC1-benzyl-3-(2-benzyltetrazol-5-yl)indole
SMILESc1ccc(Cn2nnc(-c3cn(Cc4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C23H19N5/c1-3-9-18(10-4-1)15-27-17-21(20-13-7-8-14-22(20)27)23-24-26-28(25-23)16-19-11-5-2-6-12-19/h1-14,17H,15-16H2
InChIKeyWBYWRNHDFUMMEF-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.39
Rot. Bonds5

About 1-benzyl-3-(2-benzyltetrazol-5-yl)indole

1-benzyl-3-(2-benzyltetrazol-5-yl)indole (PubChem CID 23366847) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-benzyl-3-(2-benzyltetrazol-5-yl)indole.

Molecular Properties

Compound Name1-benzyl-3-(2-benzyltetrazol-5-yl)indole
PubChem CID23366847
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name1-benzyl-3-(2-benzyltetrazol-5-yl)indole
SMILESc1ccc(Cn2nnc(-c3cn(Cc4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C23H19N5/c1-3-9-18(10-4-1)15-27-17-21(20-13-7-8-14-22(20)27)23-24-26-28(25-23)16-19-11-5-2-6-12-19/h1-14,17H,15-16H2
InChIKeyWBYWRNHDFUMMEF-UHFFFAOYSA-N
XLogP4.39
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-benzyltetrazol-5-yl)indole?
The IUPAC name of 1-benzyl-3-(2-benzyltetrazol-5-yl)indole (CID 23366847) is 1-benzyl-3-(2-benzyltetrazol-5-yl)indole.
What is the SMILES notation for 1-benzyl-3-(2-benzyltetrazol-5-yl)indole?
The canonical SMILES for 1-benzyl-3-(2-benzyltetrazol-5-yl)indole is c1ccc(Cn2nnc(-c3cn(Cc4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 1-benzyl-3-(2-benzyltetrazol-5-yl)indole?
The InChIKey is WBYWRNHDFUMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-3-9-18(10-4-1)15-27-17-21(20-13-7-8-14-22(20)27)23-24-26-28(25-23)16-19-11-5-2-6-12-19/h1-14,17H,15-16H2.
What are the key properties of 1-benzyl-3-(2-benzyltetrazol-5-yl)indole?
1-benzyl-3-(2-benzyltetrazol-5-yl)indole has a molecular weight of 365.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-benzyltetrazol-5-yl)indole is sourced from PubChem (CID 23366847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).