4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine

C18H17Cl2N5O — CID 3573370

IUPAC4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine
SMILESClc1cccc(-n2nnnc2C(c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C18H17Cl2N5O/c19-13-4-3-5-14(12-13)25-18(21-22-23-25)17(24-8-10-26-11-9-24)15-6-1-2-7-16(15)20/h1-7,12,17H,8-11H2
InChIKeyUNCCZQCWRLTLND-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.39
Rot. Bonds4

About 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine

4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine (PubChem CID 3573370) has the molecular formula C18H17Cl2N5O and a molecular weight of 390.27 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine
PubChem CID3573370
Molecular FormulaC18H17Cl2N5O
Molecular Weight390.27 g/mol
Exact Mass389.08
IUPAC Name4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine
SMILESClc1cccc(-n2nnnc2C(c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C18H17Cl2N5O/c19-13-4-3-5-14(12-13)25-18(21-22-23-25)17(24-8-10-26-11-9-24)15-6-1-2-7-16(15)20/h1-7,12,17H,8-11H2
InChIKeyUNCCZQCWRLTLND-UHFFFAOYSA-N
XLogP3.39
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine 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 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine (CID 3573370) is 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine is Clc1cccc(-n2nnnc2C(c2ccccc2Cl)N2CCOCC2)c1.
What is the InChIKey of 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
The InChIKey is UNCCZQCWRLTLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O/c19-13-4-3-5-14(12-13)25-18(21-22-23-25)17(24-8-10-26-11-9-24)15-6-1-2-7-16(15)20/h1-7,12,17H,8-11H2.
What are the key properties of 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine has a molecular weight of 390.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 3573370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).