2-(4-chlorophenyl)-1H-perimidine

C17H11ClN2 — CID 3272767

IUPAC2-(4-chlorophenyl)-1H-perimidine
SMILESClc1ccc(C2=Nc3cccc4cccc(c34)N2)cc1
InChIInChI=1S/C17H11ClN2/c18-13-9-7-12(8-10-13)17-19-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,19,20)
InChIKeyPYNMVASVFWXKSK-UHFFFAOYSA-N
MW278.74 g/mol
LogP5.00
Rot. Bonds1

About 2-(4-chlorophenyl)-1H-perimidine

2-(4-chlorophenyl)-1H-perimidine (PubChem CID 3272767) has the molecular formula C17H11ClN2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1H-perimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1H-perimidine
PubChem CID3272767
Molecular FormulaC17H11ClN2
Molecular Weight278.74 g/mol
Exact Mass278.06
IUPAC Name2-(4-chlorophenyl)-1H-perimidine
SMILESClc1ccc(C2=Nc3cccc4cccc(c34)N2)cc1
InChIInChI=1S/C17H11ClN2/c18-13-9-7-12(8-10-13)17-19-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,19,20)
InChIKeyPYNMVASVFWXKSK-UHFFFAOYSA-N
XLogP5.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1H-perimidine?
The IUPAC name of 2-(4-chlorophenyl)-1H-perimidine (CID 3272767) is 2-(4-chlorophenyl)-1H-perimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-1H-perimidine?
The canonical SMILES for 2-(4-chlorophenyl)-1H-perimidine is Clc1ccc(C2=Nc3cccc4cccc(c34)N2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1H-perimidine?
The InChIKey is PYNMVASVFWXKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2/c18-13-9-7-12(8-10-13)17-19-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-1H-perimidine?
2-(4-chlorophenyl)-1H-perimidine has a molecular weight of 278.74 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1H-perimidine is sourced from PubChem (CID 3272767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).