2-phenyl-2,3-dihydro-1H-perimidine

C17H14N2 — CID 760601

IUPAC2-phenyl-2,3-dihydro-1H-perimidine
SMILESc1ccc(C2Nc3cccc4cccc(c34)N2)cc1
InChIInChI=1S/C17H14N2/c1-2-6-13(7-3-1)17-18-14-10-4-8-12-9-5-11-15(19-17)16(12)14/h1-11,17-19H
InChIKeyXBIHZOVRMJOAEQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.38
Rot. Bonds1

About 2-phenyl-2,3-dihydro-1H-perimidine

2-phenyl-2,3-dihydro-1H-perimidine (PubChem CID 760601) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-phenyl-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-phenyl-2,3-dihydro-1H-perimidine
PubChem CID760601
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-phenyl-2,3-dihydro-1H-perimidine
SMILESc1ccc(C2Nc3cccc4cccc(c34)N2)cc1
InChIInChI=1S/C17H14N2/c1-2-6-13(7-3-1)17-18-14-10-4-8-12-9-5-11-15(19-17)16(12)14/h1-11,17-19H
InChIKeyXBIHZOVRMJOAEQ-UHFFFAOYSA-N
XLogP4.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.38
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-phenyl-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-phenyl-2,3-dihydro-1H-perimidine (CID 760601) is 2-phenyl-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-phenyl-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-phenyl-2,3-dihydro-1H-perimidine is c1ccc(C2Nc3cccc4cccc(c34)N2)cc1.
What is the InChIKey of 2-phenyl-2,3-dihydro-1H-perimidine?
The InChIKey is XBIHZOVRMJOAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-6-13(7-3-1)17-18-14-10-4-8-12-9-5-11-15(19-17)16(12)14/h1-11,17-19H.
What are the key properties of 2-phenyl-2,3-dihydro-1H-perimidine?
2-phenyl-2,3-dihydro-1H-perimidine has a molecular weight of 246.31 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 760601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).