2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine

C17H12Cl2N2 — CID 727019

IUPAC2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine
SMILESClc1cccc(Cl)c1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C17H12Cl2N2/c18-11-6-3-7-12(19)16(11)17-20-13-8-1-4-10-5-2-9-14(21-17)15(10)13/h1-9,17,20-21H
InChIKeyQNEHMYDUZSTNDI-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.68
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine

2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine (PubChem CID 727019) has the molecular formula C17H12Cl2N2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine
PubChem CID727019
Molecular FormulaC17H12Cl2N2
Molecular Weight315.20 g/mol
Exact Mass314.04
IUPAC Name2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine
SMILESClc1cccc(Cl)c1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C17H12Cl2N2/c18-11-6-3-7-12(19)16(11)17-20-13-8-1-4-10-5-2-9-14(21-17)15(10)13/h1-9,17,20-21H
InChIKeyQNEHMYDUZSTNDI-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-(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-(3-methylphenyl)-2,3-dihydro-1H-perimidine
CID 761639
2-(4-fluorophenyl)-2,3-dihydro-1H-perimidine
CID 255084
4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-dimethylaniline
CID 256660
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-(2,4-dichlorophenyl)-2,3-dihydro-1H-perimidine
CID 727026
2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-perimidine
CID 761633

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine (CID 727019) is 2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine is Clc1cccc(Cl)c1C1Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is QNEHMYDUZSTNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2/c18-11-6-3-7-12(19)16(11)17-20-13-8-1-4-10-5-2-9-14(21-17)15(10)13/h1-9,17,20-21H.
What are the key properties of 2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine?
2-(2,6-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-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 727019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).