2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole

C18H16Cl2N8O — CID 142760151

IUPAC2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole
SMILESClc1ccccc1[C@@H](Cn1ncnn1)O[C@H](Cn1ncnn1)c1ccccc1Cl
InChIInChI=1S/C18H16Cl2N8O/c19-15-7-3-1-5-13(15)17(9-27-23-11-21-25-27)29-18(10-28-24-12-22-26-28)14-6-2-4-8-16(14)20/h1-8,11-12,17-18H,9-10H2/t17-,18-/m1/s1
InChIKeyNEWSNOSOGMQNRE-QZTJIDSGSA-N
MW431.29 g/mol
LogP3.17
Rot. Bonds8

About 2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole

2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole (PubChem CID 142760151) has the molecular formula C18H16Cl2N8O and a molecular weight of 431.29 g/mol. Its IUPAC name is 2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole.

Molecular Properties

Compound Name2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole
PubChem CID142760151
Molecular FormulaC18H16Cl2N8O
Molecular Weight431.29 g/mol
Exact Mass430.08
IUPAC Name2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole
SMILESClc1ccccc1[C@@H](Cn1ncnn1)O[C@H](Cn1ncnn1)c1ccccc1Cl
InChIInChI=1S/C18H16Cl2N8O/c19-15-7-3-1-5-13(15)17(9-27-23-11-21-25-27)29-18(10-28-24-12-22-26-28)14-6-2-4-8-16(14)20/h1-8,11-12,17-18H,9-10H2/t17-,18-/m1/s1
InChIKeyNEWSNOSOGMQNRE-QZTJIDSGSA-N
XLogP3.17
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole?
The IUPAC name of 2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole (CID 142760151) is 2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole.
What is the SMILES notation for 2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole?
The canonical SMILES for 2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole is Clc1ccccc1[C@@H](Cn1ncnn1)O[C@H](Cn1ncnn1)c1ccccc1Cl.
What is the InChIKey of 2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole?
The InChIKey is NEWSNOSOGMQNRE-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H16Cl2N8O/c19-15-7-3-1-5-13(15)17(9-27-23-11-21-25-27)29-18(10-28-24-12-22-26-28)14-6-2-4-8-16(14)20/h1-8,11-12,17-18H,9-10H2/t17-,18-/m1/s1.
What are the key properties of 2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole?
2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole has a molecular weight of 431.29 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole is sourced from PubChem (CID 142760151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).