1-(2-benzylphenyl)-5-(chloromethyl)tetrazole

C15H13ClN4 — CID 43247254

IUPAC1-(2-benzylphenyl)-5-(chloromethyl)tetrazole
SMILESClCc1nnnn1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C15H13ClN4/c16-11-15-17-18-19-20(15)14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyBLRRIYBGSKOZQV-UHFFFAOYSA-N
MW284.75 g/mol
LogP2.99
Rot. Bonds4

About 1-(2-benzylphenyl)-5-(chloromethyl)tetrazole

1-(2-benzylphenyl)-5-(chloromethyl)tetrazole (PubChem CID 43247254) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-5-(chloromethyl)tetrazole.

Molecular Properties

Compound Name1-(2-benzylphenyl)-5-(chloromethyl)tetrazole
PubChem CID43247254
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name1-(2-benzylphenyl)-5-(chloromethyl)tetrazole
SMILESClCc1nnnn1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C15H13ClN4/c16-11-15-17-18-19-20(15)14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyBLRRIYBGSKOZQV-UHFFFAOYSA-N
XLogP2.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62735546
1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole
CID 103480758
1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole
CID 113384535
N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine
CID 55108923
5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole
CID 167209854
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole
CID 43134726
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
5-chloro-2-[5-(chloromethyl)tetrazol-1-yl]benzoic acid
CID 11961946
1-(2-benzylphenyl)-2,5-dimethylpyrrole
CID 15643956
4-(5-benzyltetrazol-1-yl)-2,5-dimethoxyaniline
CID 23019981
5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole
CID 43134747

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-5-(chloromethyl)tetrazole?
The IUPAC name of 1-(2-benzylphenyl)-5-(chloromethyl)tetrazole (CID 43247254) is 1-(2-benzylphenyl)-5-(chloromethyl)tetrazole.
What is the SMILES notation for 1-(2-benzylphenyl)-5-(chloromethyl)tetrazole?
The canonical SMILES for 1-(2-benzylphenyl)-5-(chloromethyl)tetrazole is ClCc1nnnn1-c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylphenyl)-5-(chloromethyl)tetrazole?
The InChIKey is BLRRIYBGSKOZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-11-15-17-18-19-20(15)14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 1-(2-benzylphenyl)-5-(chloromethyl)tetrazole?
1-(2-benzylphenyl)-5-(chloromethyl)tetrazole has a molecular weight of 284.75 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-5-(chloromethyl)tetrazole is sourced from PubChem (CID 43247254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).