1-tetracen-1-ylimidazole

C21H14N2 — CID 175447100

IUPAC1-tetracen-1-ylimidazole
SMILESc1ccc2cc3cc4c(-n5ccnc5)cccc4cc3cc2c1
InChIInChI=1S/C21H14N2/c1-2-5-16-11-19-13-20-17(12-18(19)10-15(16)4-1)6-3-7-21(20)23-9-8-22-14-23/h1-14H
InChIKeySFDVJSORAFPZBX-UHFFFAOYSA-N
MW294.36 g/mol
LogP5.33
Rot. Bonds1

About 1-tetracen-1-ylimidazole

1-tetracen-1-ylimidazole (PubChem CID 175447100) has the molecular formula C21H14N2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-tetracen-1-ylimidazole.

Molecular Properties

Compound Name1-tetracen-1-ylimidazole
PubChem CID175447100
Molecular FormulaC21H14N2
Molecular Weight294.36 g/mol
Exact Mass294.12
IUPAC Name1-tetracen-1-ylimidazole
SMILESc1ccc2cc3cc4c(-n5ccnc5)cccc4cc3cc2c1
InChIInChI=1S/C21H14N2/c1-2-5-16-11-19-13-20-17(12-18(19)10-15(16)4-1)6-3-7-21(20)23-9-8-22-14-23/h1-14H
InChIKeySFDVJSORAFPZBX-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-tetracen-1-ylimidazole 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-tetracen-1-ylimidazole?
The IUPAC name of 1-tetracen-1-ylimidazole (CID 175447100) is 1-tetracen-1-ylimidazole.
What is the SMILES notation for 1-tetracen-1-ylimidazole?
The canonical SMILES for 1-tetracen-1-ylimidazole is c1ccc2cc3cc4c(-n5ccnc5)cccc4cc3cc2c1.
What is the InChIKey of 1-tetracen-1-ylimidazole?
The InChIKey is SFDVJSORAFPZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2/c1-2-5-16-11-19-13-20-17(12-18(19)10-15(16)4-1)6-3-7-21(20)23-9-8-22-14-23/h1-14H.
What are the key properties of 1-tetracen-1-ylimidazole?
1-tetracen-1-ylimidazole has a molecular weight of 294.36 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetracen-1-ylimidazole is sourced from PubChem (CID 175447100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).