2-benzhydryl-5-phenyltetrazole

C20H16N4 — CID 3757416

IUPAC2-benzhydryl-5-phenyltetrazole
SMILESc1ccc(-c2nnn(C(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C20H16N4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)24-22-20(21-23-24)18-14-8-3-9-15-18/h1-15,19H
InChIKeyJUXBDOMPXDXKNU-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.98
Rot. Bonds4

About 2-benzhydryl-5-phenyltetrazole

2-benzhydryl-5-phenyltetrazole (PubChem CID 3757416) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-benzhydryl-5-phenyltetrazole.

Molecular Properties

Compound Name2-benzhydryl-5-phenyltetrazole
PubChem CID3757416
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name2-benzhydryl-5-phenyltetrazole
SMILESc1ccc(-c2nnn(C(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C20H16N4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)24-22-20(21-23-24)18-14-8-3-9-15-18/h1-15,19H
InChIKeyJUXBDOMPXDXKNU-UHFFFAOYSA-N
XLogP3.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantyl)-5-phenyl-2H-tetrazole
CID 2841167
1-Benzyl-4-(5-phenyl-tetrazol-2-yl)-piperidine
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2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
5-phenyl-2-(2-phenylpropan-2-yl)-2H-tetrazole
CID 1289594
[2-[2-(Triphenylmethyl)-2H-tetrazol-5-yl]phenyl]boronic acid
CID 9954488
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
3-[(5-phenyl-2H-tetrazol-2-yl)methyl]benzonitrile
CID 886657
3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propionitrile
CID 10802348
5-(4-fluorophenyl)-2-(2-methylbenzyl)-2H-tetrazole
CID 738168
2-Methyl-5-phenyl-2H-tetrazole
CID 329758
N-benzyl-5-phenyl-1H-tetrazol-1-amine
CID 2191866
3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile
CID 3192364

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-5-phenyltetrazole?
The IUPAC name of 2-benzhydryl-5-phenyltetrazole (CID 3757416) is 2-benzhydryl-5-phenyltetrazole.
What is the SMILES notation for 2-benzhydryl-5-phenyltetrazole?
The canonical SMILES for 2-benzhydryl-5-phenyltetrazole is c1ccc(-c2nnn(C(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-benzhydryl-5-phenyltetrazole?
The InChIKey is JUXBDOMPXDXKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)24-22-20(21-23-24)18-14-8-3-9-15-18/h1-15,19H.
What are the key properties of 2-benzhydryl-5-phenyltetrazole?
2-benzhydryl-5-phenyltetrazole has a molecular weight of 312.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-5-phenyltetrazole is sourced from PubChem (CID 3757416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).