2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane

C25H20BrN3 — CID 143047895

IUPAC2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane
SMILESBrc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.CC
InChIInChI=1S/C23H14BrN3.C2H6/c24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;1-2/h1-12,25H,(H,26,27);1-2H3
InChIKeyZDBXDWMGINWCIQ-UHFFFAOYSA-N
MW442.36 g/mol
LogP7.81
Rot. Bonds1

About 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane

2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane (PubChem CID 143047895) has the molecular formula C25H20BrN3 and a molecular weight of 442.36 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane
PubChem CID143047895
Molecular FormulaC25H20BrN3
Molecular Weight442.36 g/mol
Exact Mass441.08
IUPAC Name2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane
SMILESBrc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.CC
InChIInChI=1S/C23H14BrN3.C2H6/c24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;1-2/h1-12,25H,(H,26,27);1-2H3
InChIKeyZDBXDWMGINWCIQ-UHFFFAOYSA-N
XLogP7.81
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.36
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882286
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide
CID 58882242
2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole
CID 88972587
CID 89277516
CID 89277516
2-(5-bromo-1H-indol-3-yl)-N-[(E)-2-(5-bromo-2-methylphenyl)-4-methylhex-2-enyl]-3H-phenanthro[9,10-d]imidazol-6-amine
CID 130458118
3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde
CID 143655540
2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 135440181
CID 89232067
CID 89232067
1-(5-bromo-1H-indol-3-yl)-N-[2-(4,5-didehydro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]methanimine
CID 143047898
methylhydrazine;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde
CID 143655539
2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 89277515
2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine
CID 159331320

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane (CID 143047895) is 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane is Brc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.CC.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane?
The InChIKey is ZDBXDWMGINWCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrN3.C2H6/c24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;1-2/h1-12,25H,(H,26,27);1-2H3.
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane?
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane has a molecular weight of 442.36 g/mol, XLogP of 7.81, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane is sourced from PubChem (CID 143047895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).