N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline

C22H19N5 — CID 14439386

IUPACN-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
SMILESC(=C/N(Cc1ccccc1)c1ccccc1)\c1nnnn1-c1ccccc1
InChIInChI=1S/C22H19N5/c1-4-10-19(11-5-1)18-26(20-12-6-2-7-13-20)17-16-22-23-24-25-27(22)21-14-8-3-9-15-21/h1-17H,18H2/b17-16+
InChIKeyUOFQERBPOVETOC-WUKNDPDISA-N
MW353.43 g/mol
LogP4.34
Rot. Bonds6

About N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline

N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline (PubChem CID 14439386) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
PubChem CID14439386
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
SMILESC(=C/N(Cc1ccccc1)c1ccccc1)\c1nnnn1-c1ccccc1
InChIInChI=1S/C22H19N5/c1-4-10-19(11-5-1)18-26(20-12-6-2-7-13-20)17-16-22-23-24-25-27(22)21-14-8-3-9-15-21/h1-17H,18H2/b17-16+
InChIKeyUOFQERBPOVETOC-WUKNDPDISA-N
XLogP4.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline
CID 14439385
5-ethenyl-1-phenyltetrazole
CID 12753529
1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
CID 2825325
N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine
CID 557780
1-(4-ethylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
CID 92965167
(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine
CID 5367722
1-phenyl-5-phenylmethoxytetrazole
CID 5082830
N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 26625051
2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol
CID 111121816
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075
1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine
CID 6062005

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
The IUPAC name of N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline (CID 14439386) is N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline.
What is the SMILES notation for N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
The canonical SMILES for N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline is C(=C/N(Cc1ccccc1)c1ccccc1)\c1nnnn1-c1ccccc1.
What is the InChIKey of N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
The InChIKey is UOFQERBPOVETOC-WUKNDPDISA-N. The full InChI is InChI=1S/C22H19N5/c1-4-10-19(11-5-1)18-26(20-12-6-2-7-13-20)17-16-22-23-24-25-27(22)21-14-8-3-9-15-21/h1-17H,18H2/b17-16+.
What are the key properties of N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline has a molecular weight of 353.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline is sourced from PubChem (CID 14439386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).