5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole

C16H14BrClN4 — CID 59121197

IUPAC5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole
SMILESCC(C)(c1ccccc1Cl)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H14BrClN4/c1-16(2,13-5-3-4-6-14(13)18)22-20-15(19-21-22)11-7-9-12(17)10-8-11/h3-10H,1-2H3
InChIKeyBKWPTUZGQXOEBS-UHFFFAOYSA-N
MW377.67 g/mol
LogP4.54
Rot. Bonds3

About 5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole

5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole (PubChem CID 59121197) has the molecular formula C16H14BrClN4 and a molecular weight of 377.67 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole
PubChem CID59121197
Molecular FormulaC16H14BrClN4
Molecular Weight377.67 g/mol
Exact Mass376.01
IUPAC Name5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole
SMILESCC(C)(c1ccccc1Cl)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H14BrClN4/c1-16(2,13-5-3-4-6-14(13)18)22-20-15(19-21-22)11-7-9-12(17)10-8-11/h3-10H,1-2H3
InChIKeyBKWPTUZGQXOEBS-UHFFFAOYSA-N
XLogP4.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole?
The IUPAC name of 5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole (CID 59121197) is 5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole?
The canonical SMILES for 5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole is CC(C)(c1ccccc1Cl)n1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole?
The InChIKey is BKWPTUZGQXOEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN4/c1-16(2,13-5-3-4-6-14(13)18)22-20-15(19-21-22)11-7-9-12(17)10-8-11/h3-10H,1-2H3.
What are the key properties of 5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole?
5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole has a molecular weight of 377.67 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-[2-(2-chlorophenyl)propan-2-yl]tetrazole is sourced from PubChem (CID 59121197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).