1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine

C19H20ClN5 — CID 4251773

IUPAC1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine
SMILESCc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5/c1-13-6-5-7-14(2)17(13)25-18(22-23-24-25)19(3,4)21-12-15-8-10-16(20)11-9-15/h5-12H,1-4H3/b21-12+
InChIKeyPSHIZSPLVDHZNW-CIAFOILYSA-N
MW353.86 g/mol
LogP4.29
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine

1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine (PubChem CID 4251773) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine
PubChem CID4251773
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine
SMILESCc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5/c1-13-6-5-7-14(2)17(13)25-18(22-23-24-25)19(3,4)21-12-15-8-10-16(20)11-9-15/h5-12H,1-4H3/b21-12+
InChIKeyPSHIZSPLVDHZNW-CIAFOILYSA-N
XLogP4.29
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine (CID 4251773) is 1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine is Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine?
The InChIKey is PSHIZSPLVDHZNW-CIAFOILYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-13-6-5-7-14(2)17(13)25-18(22-23-24-25)19(3,4)21-12-15-8-10-16(20)11-9-15/h5-12H,1-4H3/b21-12+.
What are the key properties of 1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine?
1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine has a molecular weight of 353.86 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine is sourced from PubChem (CID 4251773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).