N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine

C18H15N3 — CID 135992470

IUPACN-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine
SMILESc1cc2c3c(cccc3c1)/C(=N/CCc1ccncc1)N2
InChIInChI=1S/C18H15N3/c1-3-14-4-2-6-16-17(14)15(5-1)18(21-16)20-12-9-13-7-10-19-11-8-13/h1-8,10-11H,9,12H2,(H,20,21)
InChIKeyUFWLQLIVUQZIIT-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.65
Rot. Bonds3

About N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine

N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine (PubChem CID 135992470) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine
PubChem CID135992470
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC NameN-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine
SMILESc1cc2c3c(cccc3c1)/C(=N/CCc1ccncc1)N2
InChIInChI=1S/C18H15N3/c1-3-14-4-2-6-16-17(14)15(5-1)18(21-16)20-12-9-13-7-10-19-11-8-13/h1-8,10-11H,9,12H2,(H,20,21)
InChIKeyUFWLQLIVUQZIIT-UHFFFAOYSA-N
XLogP3.65
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine 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 N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine?
The IUPAC name of N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine (CID 135992470) is N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine is c1cc2c3c(cccc3c1)/C(=N/CCc1ccncc1)N2.
What is the InChIKey of N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine?
The InChIKey is UFWLQLIVUQZIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-3-14-4-2-6-16-17(14)15(5-1)18(21-16)20-12-9-13-7-10-19-11-8-13/h1-8,10-11H,9,12H2,(H,20,21).
What are the key properties of N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine?
N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine has a molecular weight of 273.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine is sourced from PubChem (CID 135992470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).