CID 58202518

C20H16N — CID 58202518

IUPAC—
SMILES[CH](N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16N/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeySREPJSMVINVMCN-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.73
Rot. Bonds4

About CID 58202518

CID 58202518 (PubChem CID 58202518) has the molecular formula C20H16N and a molecular weight of 270.36 g/mol.

Molecular Properties

Compound NameCID 58202518
PubChem CID58202518
Molecular FormulaC20H16N
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC Name—
SMILES[CH](N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16N/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeySREPJSMVINVMCN-UHFFFAOYSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58202518?
The IUPAC name of CID 58202518 (CID 58202518) is not available.
What is the SMILES notation for CID 58202518?
The canonical SMILES for CID 58202518 is [CH](N=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of CID 58202518?
The InChIKey is SREPJSMVINVMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H.
What are the key properties of CID 58202518?
CID 58202518 has a molecular weight of 270.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58202518 is sourced from PubChem (CID 58202518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).