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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Related Compounds

2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 102048569
2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile
CID 46865047
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline
CID 101473917
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline
CID 175822709
2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 46866550
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 90915882
2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 141245187

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).