(1-butyltetrazol-5-yl)methyl 2-benzylbenzoate

C20H22N4O2 — CID 55390145

IUPAC(1-butyltetrazol-5-yl)methyl 2-benzylbenzoate
SMILESCCCCn1nnnc1COC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-2-3-13-24-19(21-22-23-24)15-26-20(25)18-12-8-7-11-17(18)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3
InChIKeyQDXMYICZYFMYDK-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.42
Rot. Bonds8

About (1-butyltetrazol-5-yl)methyl 2-benzylbenzoate

(1-butyltetrazol-5-yl)methyl 2-benzylbenzoate (PubChem CID 55390145) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (1-butyltetrazol-5-yl)methyl 2-benzylbenzoate.

Molecular Properties

Compound Name(1-butyltetrazol-5-yl)methyl 2-benzylbenzoate
PubChem CID55390145
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(1-butyltetrazol-5-yl)methyl 2-benzylbenzoate
SMILESCCCCn1nnnc1COC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-2-3-13-24-19(21-22-23-24)15-26-20(25)18-12-8-7-11-17(18)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3
InChIKeyQDXMYICZYFMYDK-UHFFFAOYSA-N
XLogP3.42
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-butyltetrazol-5-yl)methyl 2-benzylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-butyltetrazol-5-yl)methyl 2-(2-benzylphenoxy)acetate
CID 55390176
(1-butyltetrazol-5-yl)methyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 30910565
(1-butyltetrazol-5-yl)methyl 1,5-dimethylpyrazole-4-carboxylate
CID 55563378
(1-butyltetrazol-5-yl)methyl 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoate
CID 55444206
(1-propyltetrazol-5-yl)methyl 2-(difluoromethoxy)benzoate
CID 55399271
(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 8578938
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
CID 9203407
(1-propyltetrazol-5-yl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 9019943
(1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18123694
(1-butyltetrazol-5-yl)methyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 18283606
[(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7382431
(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate
CID 55402390

Frequently Asked Questions

What is the IUPAC name of (1-butyltetrazol-5-yl)methyl 2-benzylbenzoate?
The IUPAC name of (1-butyltetrazol-5-yl)methyl 2-benzylbenzoate (CID 55390145) is (1-butyltetrazol-5-yl)methyl 2-benzylbenzoate.
What is the SMILES notation for (1-butyltetrazol-5-yl)methyl 2-benzylbenzoate?
The canonical SMILES for (1-butyltetrazol-5-yl)methyl 2-benzylbenzoate is CCCCn1nnnc1COC(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of (1-butyltetrazol-5-yl)methyl 2-benzylbenzoate?
The InChIKey is QDXMYICZYFMYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-3-13-24-19(21-22-23-24)15-26-20(25)18-12-8-7-11-17(18)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3.
What are the key properties of (1-butyltetrazol-5-yl)methyl 2-benzylbenzoate?
(1-butyltetrazol-5-yl)methyl 2-benzylbenzoate has a molecular weight of 350.42 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltetrazol-5-yl)methyl 2-benzylbenzoate is sourced from PubChem (CID 55390145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).