2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine

C17H12Cl2N2 — CID 727026

IUPAC2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine
SMILESClc1ccc(C2Nc3cccc4cccc(c34)N2)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2/c18-11-7-8-12(13(19)9-11)17-20-14-5-1-3-10-4-2-6-15(21-17)16(10)14/h1-9,17,20-21H
InChIKeyKHRZAHRDWDBISW-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.68
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine

2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine (PubChem CID 727026) has the molecular formula C17H12Cl2N2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine
PubChem CID727026
Molecular FormulaC17H12Cl2N2
Molecular Weight315.20 g/mol
Exact Mass314.04
IUPAC Name2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine
SMILESClc1ccc(C2Nc3cccc4cccc(c34)N2)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2/c18-11-7-8-12(13(19)9-11)17-20-14-5-1-3-10-4-2-6-15(21-17)16(10)14/h1-9,17,20-21H
InChIKeyKHRZAHRDWDBISW-UHFFFAOYSA-N
XLogP5.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-2,3-dihydro-1H-perimidine
CID 255346
2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine
CID 727019
2-(4-chlorophenyl)-2,3-dihydro-1H-perimidine
CID 255085
2-(2-chloro-6-fluorophenyl)-2,3-dihydro-1H-perimidine
CID 668462
2-p-Tolyl-2,3-dihydro-1H-perimidine
CID 727034
2-(2-chlorophenyl)-2,3-dihydro-1H-perimidine
CID 760602
2-(4-fluorophenyl)-2,3-dihydro-1H-perimidine
CID 255084
7-Amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,2,3,4-tetrahydroquinazolin-2-one
CID 22647927
2-(4-chloro-3-nitrophenyl)-2,3-dihydro-1H-perimidine
CID 761628
2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine
CID 668461
2-(2,3-dichlorophenyl)-2,3-dihydro-1H-perimidine
CID 727012
2-(2-chloro-5-nitrophenyl)-2,3-dihydro-1H-perimidine
CID 761637

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine (CID 727026) is 2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine is Clc1ccc(C2Nc3cccc4cccc(c34)N2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is KHRZAHRDWDBISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2/c18-11-7-8-12(13(19)9-11)17-20-14-5-1-3-10-4-2-6-15(21-17)16(10)14/h1-9,17,20-21H.
What are the key properties of 2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine?
2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine has a molecular weight of 315.20 g/mol, XLogP of 5.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 727026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).