1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine

C16H11Cl3N6O — CID 118452587

IUPAC1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine
SMILESClc1cc(NNCc2ccc3cc(-c4nn[nH]n4)oc3c2)cc(Cl)c1Cl
InChIInChI=1S/C16H11Cl3N6O/c17-11-5-10(6-12(18)15(11)19)21-20-7-8-1-2-9-4-14(26-13(9)3-8)16-22-24-25-23-16/h1-6,20-21H,7H2,(H,22,23,24,25)
InChIKeyUPWKZXQDNZWXEH-UHFFFAOYSA-N
MW409.66 g/mol
LogP4.69
Rot. Bonds5

About 1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine

1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine (PubChem CID 118452587) has the molecular formula C16H11Cl3N6O and a molecular weight of 409.66 g/mol. Its IUPAC name is 1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine.

Molecular Properties

Compound Name1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine
PubChem CID118452587
Molecular FormulaC16H11Cl3N6O
Molecular Weight409.66 g/mol
Exact Mass408.01
IUPAC Name1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine
SMILESClc1cc(NNCc2ccc3cc(-c4nn[nH]n4)oc3c2)cc(Cl)c1Cl
InChIInChI=1S/C16H11Cl3N6O/c17-11-5-10(6-12(18)15(11)19)21-20-7-8-1-2-9-4-14(26-13(9)3-8)16-22-24-25-23-16/h1-6,20-21H,7H2,(H,22,23,24,25)
InChIKeyUPWKZXQDNZWXEH-UHFFFAOYSA-N
XLogP4.69
TPSA91.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methylamino]benzenethiol
CID 118466629
6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine
CID 118452445
3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline
CID 118452471
4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline
CID 118452539
3-chloro-N-[[6-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 118452492
5-[6-[2-(3-bromo-5-fluoro-4-methoxyphenyl)ethyl]-1-benzofuran-2-yl]-2H-tetrazole
CID 159473295
2-chloro-5-[2-[5-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]ethyl]pyridine;fluoroform
CID 158690519
N-[[5-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-4-propyl-3-(trifluoromethyl)aniline
CID 118452651
N-[[5-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-4-ethoxy-3-(fluoromethyl)aniline
CID 118460914
3-methylsulfanyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]cyclohex-2-en-5-yn-1-imine
CID 123659185
N-[[6-fluoro-2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]-4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)aniline
CID 118452488
7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline
CID 67690189

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine?
The IUPAC name of 1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine (CID 118452587) is 1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine.
What is the SMILES notation for 1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine?
The canonical SMILES for 1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine is Clc1cc(NNCc2ccc3cc(-c4nn[nH]n4)oc3c2)cc(Cl)c1Cl.
What is the InChIKey of 1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine?
The InChIKey is UPWKZXQDNZWXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N6O/c17-11-5-10(6-12(18)15(11)19)21-20-7-8-1-2-9-4-14(26-13(9)3-8)16-22-24-25-23-16/h1-6,20-21H,7H2,(H,22,23,24,25).
What are the key properties of 1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine?
1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine has a molecular weight of 409.66 g/mol, XLogP of 4.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine is sourced from PubChem (CID 118452587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).