2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline

C15H9BrN4 — CID 175295426

IUPAC2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESBr/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1
InChIInChI=1S/C15H9BrN4/c16-6-5-11-19-14-9-3-1-7-17-12(9)13-10(15(14)20-11)4-2-8-18-13/h1-8H,(H,19,20)/b6-5+
InChIKeyADHDTPMADJSFPJ-AATRIKPKSA-N
MW325.17 g/mol
LogP4.02
Rot. Bonds1

About 2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline

2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 175295426) has the molecular formula C15H9BrN4 and a molecular weight of 325.17 g/mol. Its IUPAC name is 2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID175295426
Molecular FormulaC15H9BrN4
Molecular Weight325.17 g/mol
Exact Mass324.00
IUPAC Name2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESBr/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1
InChIInChI=1S/C15H9BrN4/c16-6-5-11-19-14-9-3-1-7-17-12(9)13-10(15(14)20-11)4-2-8-18-13/h1-8H,(H,19,20)/b6-5+
InChIKeyADHDTPMADJSFPJ-AATRIKPKSA-N
XLogP4.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline (CID 175295426) is 2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline is Br/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1.
What is the InChIKey of 2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is ADHDTPMADJSFPJ-AATRIKPKSA-N. The full InChI is InChI=1S/C15H9BrN4/c16-6-5-11-19-14-9-3-1-7-17-12(9)13-10(15(14)20-11)4-2-8-18-13/h1-8H,(H,19,20)/b6-5+.
What are the key properties of 2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 325.17 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 175295426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).