1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol

C21H16N2O — CID 668468

IUPAC1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C21H16N2O/c24-18-12-11-13-5-1-2-8-15(13)20(18)21-22-16-9-3-6-14-7-4-10-17(23-21)19(14)16/h1-12,21-24H
InChIKeyCZHAUERRAMVUGM-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.23
Rot. Bonds1

About 1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol

1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol (PubChem CID 668468) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol
PubChem CID668468
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C21H16N2O/c24-18-12-11-13-5-1-2-8-15(13)20(18)21-22-16-9-3-6-14-7-4-10-17(23-21)19(14)16/h1-12,21-24H
InChIKeyCZHAUERRAMVUGM-UHFFFAOYSA-N
XLogP5.23
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol (CID 668468) is 1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1.
What is the InChIKey of 1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol?
The InChIKey is CZHAUERRAMVUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-18-12-11-13-5-1-2-8-15(13)20(18)21-22-16-9-3-6-14-7-4-10-17(23-21)19(14)16/h1-12,21-24H.
What are the key properties of 1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol?
1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol has a molecular weight of 312.37 g/mol, XLogP of 5.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol is sourced from PubChem (CID 668468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).