N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide

C14H11BrN8 — CID 135439902

IUPACN'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide
SMILESBrc1ccc(N/N=C(/N=N/c2nn[nH]n2)c2ccccc2)cc1
InChIInChI=1S/C14H11BrN8/c15-11-6-8-12(9-7-11)16-17-13(10-4-2-1-3-5-10)18-19-14-20-22-23-21-14/h1-9,16H,(H,20,21,22,23)/b17-13+,19-18+
InChIKeyDAXFTEHLGLQKMU-MLAGBHMLSA-N
MW371.20 g/mol
LogP3.52
Rot. Bonds4

About N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide

N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide (PubChem CID 135439902) has the molecular formula C14H11BrN8 and a molecular weight of 371.20 g/mol. Its IUPAC name is N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide
PubChem CID135439902
Molecular FormulaC14H11BrN8
Molecular Weight371.20 g/mol
Exact Mass370.03
IUPAC NameN'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide
SMILESBrc1ccc(N/N=C(/N=N/c2nn[nH]n2)c2ccccc2)cc1
InChIInChI=1S/C14H11BrN8/c15-11-6-8-12(9-7-11)16-17-13(10-4-2-1-3-5-10)18-19-14-20-22-23-21-14/h1-9,16H,(H,20,21,22,23)/b17-13+,19-18+
InChIKeyDAXFTEHLGLQKMU-MLAGBHMLSA-N
XLogP3.52
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-bromophenyl)-2-(4-fluorophenyl)-2H-tetrazole
CID 2987080
4-bromo-2-(1H-1,2,3,4-tetrazol-5-yl)aniline
CID 10868388
2-(3-Bromophenyl)-3,5-diphenyltetrazol-3-ium chloride
CID 44456478
2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium
CID 1352468
3-[2-[(2-Bromophenyl)methyl]tetrazol-5-yl]aniline
CID 172452038
3-[2-[(4-Bromophenyl)methyl]tetrazol-5-yl]aniline
CID 172457879
3-[2-[(3-Bromophenyl)methyl]tetrazol-5-yl]aniline
CID 172466602
2-(4-Bromophenyl)-5-phenyl-1,2,3,4-tetraazole
CID 3513585
1-(4-Bromophenyl)-3,5-diphenylformazan
CID 4113054
5-(4-Bromophenyl)-2-phenyltetrazole
CID 11370072
3,5-diphenyl-2H-tetrazol-3-ium
CID 17774108
2,5-Diphenyltetrazolium bromide
CID 18769707

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide?
The IUPAC name of N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide (CID 135439902) is N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide.
What is the SMILES notation for N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide?
The canonical SMILES for N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide is Brc1ccc(N/N=C(/N=N/c2nn[nH]n2)c2ccccc2)cc1.
What is the InChIKey of N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide?
The InChIKey is DAXFTEHLGLQKMU-MLAGBHMLSA-N. The full InChI is InChI=1S/C14H11BrN8/c15-11-6-8-12(9-7-11)16-17-13(10-4-2-1-3-5-10)18-19-14-20-22-23-21-14/h1-9,16H,(H,20,21,22,23)/b17-13+,19-18+.
What are the key properties of N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide?
N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide has a molecular weight of 371.20 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide is sourced from PubChem (CID 135439902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).