3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole

C22H16N2O — CID 175875241

IUPAC3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole
SMILESCOc1ccc(-n2cnc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C22H16N2O/c1-25-16-12-10-15(11-13-16)24-14-23-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(21)24/h2-14H,1H3
InChIKeyYDWDGUGQEFEROA-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.34
Rot. Bonds2

About 3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole

3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole (PubChem CID 175875241) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole
PubChem CID175875241
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole
SMILESCOc1ccc(-n2cnc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C22H16N2O/c1-25-16-12-10-15(11-13-16)24-14-23-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(21)24/h2-14H,1H3
InChIKeyYDWDGUGQEFEROA-UHFFFAOYSA-N
XLogP5.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
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 3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole?
The IUPAC name of 3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole (CID 175875241) is 3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole?
The canonical SMILES for 3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole is COc1ccc(-n2cnc3c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole?
The InChIKey is YDWDGUGQEFEROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-25-16-12-10-15(11-13-16)24-14-23-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(21)24/h2-14H,1H3.
What are the key properties of 3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole?
3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole has a molecular weight of 324.38 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole is sourced from PubChem (CID 175875241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).