1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride

C22H24Cl2N6O2 — CID 6602673

IUPAC1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
SMILESCl.Clc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C22H23ClN6O2.ClH/c23-20-8-2-1-7-19(20)21(22-24-25-26-29(22)16-18-6-4-14-31-18)28-11-9-27(10-12-28)15-17-5-3-13-30-17;/h1-8,13-14,21H,9-12,15-16H2;1H
InChIKeyPXUSSZJBUCYPKU-UHFFFAOYSA-N
MW475.38 g/mol
LogP3.89
Rot. Bonds7

About 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride

1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride (PubChem CID 6602673) has the molecular formula C22H24Cl2N6O2 and a molecular weight of 475.38 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
PubChem CID6602673
Molecular FormulaC22H24Cl2N6O2
Molecular Weight475.38 g/mol
Exact Mass474.13
IUPAC Name1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
SMILESCl.Clc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C22H23ClN6O2.ClH/c23-20-8-2-1-7-19(20)21(22-24-25-26-29(22)16-18-6-4-14-31-18)28-11-9-27(10-12-28)15-17-5-3-13-30-17;/h1-8,13-14,21H,9-12,15-16H2;1H
InChIKeyPXUSSZJBUCYPKU-UHFFFAOYSA-N
XLogP3.89
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride (CID 6602673) is 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride is Cl.Clc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
The InChIKey is PXUSSZJBUCYPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2.ClH/c23-20-8-2-1-7-19(20)21(22-24-25-26-29(22)16-18-6-4-14-31-18)28-11-9-27(10-12-28)15-17-5-3-13-30-17;/h1-8,13-14,21H,9-12,15-16H2;1H.
What are the key properties of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride has a molecular weight of 475.38 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 6602673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).