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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Related Compounds

3-(4-phenanthro[9,10-d]imidazol-3-ylphenyl)phenanthro[9,10-d]imidazole
CID 88853117
7-(4-methoxyphenyl)-6-methylpurine
CID 134553225
5-(4-methoxyphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 155806521
3-[4-(2-methoxybutoxy)phenyl]-14-methyl-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene
CID 59358877
9-(4-methoxyphenyl)-1H-purin-6-one
CID 135491131
4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one
CID 101148539
1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole
CID 59307597
1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine
CID 102389456
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine
CID 58019529
5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole
CID 71518747
6-methoxy-1-phenylbenzimidazole
CID 652633

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).