2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole

C18H18N4 — CID 172619805

IUPAC2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole
SMILESC=Cc1ccc(Cn2nnc(CCc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4/c1-2-15-8-10-17(11-9-15)14-22-20-18(19-21-22)13-12-16-6-4-3-5-7-16/h2-11H,1,12-14H2
InChIKeyFMWRHOPXVXYNQE-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.15
Rot. Bonds6

About 2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole

2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole (PubChem CID 172619805) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole
PubChem CID172619805
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole
SMILESC=Cc1ccc(Cn2nnc(CCc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4/c1-2-15-8-10-17(11-9-15)14-22-20-18(19-21-22)13-12-16-6-4-3-5-7-16/h2-11H,1,12-14H2
InChIKeyFMWRHOPXVXYNQE-UHFFFAOYSA-N
XLogP3.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole?
The IUPAC name of 2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole (CID 172619805) is 2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole.
What is the SMILES notation for 2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole?
The canonical SMILES for 2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole is C=Cc1ccc(Cn2nnc(CCc3ccccc3)n2)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole?
The InChIKey is FMWRHOPXVXYNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-15-8-10-17(11-9-15)14-22-20-18(19-21-22)13-12-16-6-4-3-5-7-16/h2-11H,1,12-14H2.
What are the key properties of 2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole?
2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole has a molecular weight of 290.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole is sourced from PubChem (CID 172619805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).