2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole

C18H13BrN4S — CID 59355813

IUPAC2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole
SMILESBrc1sccc1-c1nnn(C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H13BrN4S/c19-17-15(11-12-24-17)18-20-22-23(21-18)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H
InChIKeyBQSXNODNCVGAFL-UHFFFAOYSA-N
MW397.30 g/mol
LogP4.80
Rot. Bonds4

About 2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole

2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole (PubChem CID 59355813) has the molecular formula C18H13BrN4S and a molecular weight of 397.30 g/mol. Its IUPAC name is 2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole.

Molecular Properties

Compound Name2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole
PubChem CID59355813
Molecular FormulaC18H13BrN4S
Molecular Weight397.30 g/mol
Exact Mass396.00
IUPAC Name2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole
SMILESBrc1sccc1-c1nnn(C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H13BrN4S/c19-17-15(11-12-24-17)18-20-22-23(21-18)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H
InChIKeyBQSXNODNCVGAFL-UHFFFAOYSA-N
XLogP4.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole?
The IUPAC name of 2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole (CID 59355813) is 2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole.
What is the SMILES notation for 2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole?
The canonical SMILES for 2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole is Brc1sccc1-c1nnn(C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole?
The InChIKey is BQSXNODNCVGAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4S/c19-17-15(11-12-24-17)18-20-22-23(21-18)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H.
What are the key properties of 2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole?
2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole has a molecular weight of 397.30 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-5-(2-bromothiophen-3-yl)tetrazole is sourced from PubChem (CID 59355813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).