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

C18H16N2 — CID 761639

IUPAC2-(3-methylphenyl)-2,3-dihydro-1H-perimidine
SMILESCc1cccc(C2Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C18H16N2/c1-12-5-2-8-14(11-12)18-19-15-9-3-6-13-7-4-10-16(20-18)17(13)15/h2-11,18-20H,1H3
InChIKeyHPFJVSRZYNTHHT-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.68
Rot. Bonds1

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

2-(3-methylphenyl)-2,3-dihydro-1H-perimidine (PubChem CID 761639) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(3-methylphenyl)-2,3-dihydro-1H-perimidine
PubChem CID761639
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2-(3-methylphenyl)-2,3-dihydro-1H-perimidine
SMILESCc1cccc(C2Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C18H16N2/c1-12-5-2-8-14(11-12)18-19-15-9-3-6-13-7-4-10-16(20-18)17(13)15/h2-11,18-20H,1H3
InChIKeyHPFJVSRZYNTHHT-UHFFFAOYSA-N
XLogP4.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.68
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(3-methylphenyl)-2,3-dihydro-1H-perimidine (CID 761639) is 2-(3-methylphenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(3-methylphenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(3-methylphenyl)-2,3-dihydro-1H-perimidine is Cc1cccc(C2Nc3cccc4cccc(c34)N2)c1.
What is the InChIKey of 2-(3-methylphenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is HPFJVSRZYNTHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-12-5-2-8-14(11-12)18-19-15-9-3-6-13-7-4-10-16(20-18)17(13)15/h2-11,18-20H,1H3.
What are the key properties of 2-(3-methylphenyl)-2,3-dihydro-1H-perimidine?
2-(3-methylphenyl)-2,3-dihydro-1H-perimidine has a molecular weight of 260.34 g/mol, XLogP of 4.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 761639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).