5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole

C17H13BrN6S — CID 25330187

IUPAC5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
SMILESBrc1ccc(-c2cnc(SCc3nnnn3-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C17H13BrN6S/c18-13-8-6-12(7-9-13)15-10-19-17(20-15)25-11-16-21-22-23-24(16)14-4-2-1-3-5-14/h1-10H,11H2,(H,19,20)
InChIKeyAJZGPMVSCJIPKJ-UHFFFAOYSA-N
MW413.30 g/mol
LogP4.11
Rot. Bonds5

About 5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole

5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole (PubChem CID 25330187) has the molecular formula C17H13BrN6S and a molecular weight of 413.30 g/mol. Its IUPAC name is 5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
PubChem CID25330187
Molecular FormulaC17H13BrN6S
Molecular Weight413.30 g/mol
Exact Mass412.01
IUPAC Name5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
SMILESBrc1ccc(-c2cnc(SCc3nnnn3-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C17H13BrN6S/c18-13-8-6-12(7-9-13)15-10-19-17(20-15)25-11-16-21-22-23-24(16)14-4-2-1-3-5-14/h1-10H,11H2,(H,19,20)
InChIKeyAJZGPMVSCJIPKJ-UHFFFAOYSA-N
XLogP4.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole?
The IUPAC name of 5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole (CID 25330187) is 5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole?
The canonical SMILES for 5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole is Brc1ccc(-c2cnc(SCc3nnnn3-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole?
The InChIKey is AJZGPMVSCJIPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN6S/c18-13-8-6-12(7-9-13)15-10-19-17(20-15)25-11-16-21-22-23-24(16)14-4-2-1-3-5-14/h1-10H,11H2,(H,19,20).
What are the key properties of 5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole?
5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole has a molecular weight of 413.30 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole is sourced from PubChem (CID 25330187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).