2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine

C17H13ClN2 — CID 668461

IUPAC2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine
SMILESClc1cccc(C2Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C17H13ClN2/c18-13-7-1-6-12(10-13)17-19-14-8-2-4-11-5-3-9-15(20-17)16(11)14/h1-10,17,19-20H
InChIKeyXCXOXFRTKQREIB-UHFFFAOYSA-N
MW280.76 g/mol
LogP5.03
Rot. Bonds1

About 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine

2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine (PubChem CID 668461) has the molecular formula C17H13ClN2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine
PubChem CID668461
Molecular FormulaC17H13ClN2
Molecular Weight280.76 g/mol
Exact Mass280.08
IUPAC Name2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine
SMILESClc1cccc(C2Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C17H13ClN2/c18-13-7-1-6-12(10-13)17-19-14-8-2-4-11-5-3-9-15(20-17)16(11)14/h1-10,17,19-20H
InChIKeyXCXOXFRTKQREIB-UHFFFAOYSA-N
XLogP5.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.76
LogP ≤ 55.03
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine (CID 668461) is 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine is Clc1cccc(C2Nc3cccc4cccc(c34)N2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is XCXOXFRTKQREIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2/c18-13-7-1-6-12(10-13)17-19-14-8-2-4-11-5-3-9-15(20-17)16(11)14/h1-10,17,19-20H.
What are the key properties of 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine?
2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine has a molecular weight of 280.76 g/mol, XLogP of 5.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 668461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).