4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium

C18H18Cl2N5O+ — CID 7278290

IUPAC4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium
SMILESClc1ccc(-n2nnnc2[C@@H](c2ccccc2Cl)[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H17Cl2N5O/c19-13-5-7-14(8-6-13)25-18(21-22-23-25)17(24-9-11-26-12-10-24)15-3-1-2-4-16(15)20/h1-8,17H,9-12H2/p+1/t17-/m1/s1
InChIKeyYIEMCVJEGOFCLG-QGZVFWFLSA-O
MW391.28 g/mol
LogP1.97
Rot. Bonds4

About 4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium

4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium (PubChem CID 7278290) has the molecular formula C18H18Cl2N5O+ and a molecular weight of 391.28 g/mol. Its IUPAC name is 4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium
PubChem CID7278290
Molecular FormulaC18H18Cl2N5O+
Molecular Weight391.28 g/mol
Exact Mass390.09
IUPAC Name4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium
SMILESClc1ccc(-n2nnnc2[C@@H](c2ccccc2Cl)[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H17Cl2N5O/c19-13-5-7-14(8-6-13)25-18(21-22-23-25)17(24-9-11-26-12-10-24)15-3-1-2-4-16(15)20/h1-8,17H,9-12H2/p+1/t17-/m1/s1
InChIKeyYIEMCVJEGOFCLG-QGZVFWFLSA-O
XLogP1.97
TPSA57.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium?
The IUPAC name of 4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium (CID 7278290) is 4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium?
The canonical SMILES for 4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium is Clc1ccc(-n2nnnc2[C@@H](c2ccccc2Cl)[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium?
The InChIKey is YIEMCVJEGOFCLG-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H17Cl2N5O/c19-13-5-7-14(8-6-13)25-18(21-22-23-25)17(24-9-11-26-12-10-24)15-3-1-2-4-16(15)20/h1-8,17H,9-12H2/p+1/t17-/m1/s1.
What are the key properties of 4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium?
4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium has a molecular weight of 391.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium is sourced from PubChem (CID 7278290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).