2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole

C23H14N2OS — CID 177472594

IUPAC2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole
SMILESc1coc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)s2)c1
InChIInChI=1S/C23H14N2OS/c1-3-8-16-14(6-1)15-7-2-4-9-17(15)22-21(16)24-23(25-22)20-12-11-19(27-20)18-10-5-13-26-18/h1-13H,(H,24,25)
InChIKeyJZSDBFMXHJCIOQ-UHFFFAOYSA-N
MW366.45 g/mol
LogP6.86
Rot. Bonds2

About 2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole

2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole (PubChem CID 177472594) has the molecular formula C23H14N2OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole
PubChem CID177472594
Molecular FormulaC23H14N2OS
Molecular Weight366.45 g/mol
Exact Mass366.08
IUPAC Name2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole
SMILESc1coc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)s2)c1
InChIInChI=1S/C23H14N2OS/c1-3-8-16-14(6-1)15-7-2-4-9-17(15)22-21(16)24-23(25-22)20-12-11-19(27-20)18-10-5-13-26-18/h1-13H,(H,24,25)
InChIKeyJZSDBFMXHJCIOQ-UHFFFAOYSA-N
XLogP6.86
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole 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 2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole (CID 177472594) is 2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole is c1coc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)s2)c1.
What is the InChIKey of 2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole?
The InChIKey is JZSDBFMXHJCIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2OS/c1-3-8-16-14(6-1)15-7-2-4-9-17(15)22-21(16)24-23(25-22)20-12-11-19(27-20)18-10-5-13-26-18/h1-13H,(H,24,25).
What are the key properties of 2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole?
2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole has a molecular weight of 366.45 g/mol, XLogP of 6.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 177472594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).