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

C24H17N3O — CID 58882264

IUPAC2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
SMILESCOc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1
InChIInChI=1S/C24H17N3O/c1-28-14-10-11-21-19(12-14)20(13-25-21)24-26-22-17-8-4-2-6-15(17)16-7-3-5-9-18(16)23(22)27-24/h2-13,25H,1H3,(H,26,27)
InChIKeyAGNSJKNAXIYJMN-UHFFFAOYSA-N
MW363.42 g/mol
LogP6.03
Rot. Bonds2

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

2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 58882264) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
PubChem CID58882264
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
SMILESCOc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1
InChIInChI=1S/C24H17N3O/c1-28-14-10-11-21-19(12-14)20(13-25-21)24-26-22-17-8-4-2-6-15(17)16-7-3-5-9-18(16)23(22)27-24/h2-13,25H,1H3,(H,26,27)
InChIKeyAGNSJKNAXIYJMN-UHFFFAOYSA-N
XLogP6.03
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (CID 58882264) is 2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is COc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is AGNSJKNAXIYJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O/c1-28-14-10-11-21-19(12-14)20(13-25-21)24-26-22-17-8-4-2-6-15(17)16-7-3-5-9-18(16)23(22)27-24/h2-13,25H,1H3,(H,26,27).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 363.42 g/mol, XLogP of 6.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 58882264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).