2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline

C22H18N4O — CID 46866651

IUPAC2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCC(C)Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C22H18N4O/c1-13(2)27-15-9-7-14(8-10-15)22-25-20-16-5-3-11-23-18(16)19-17(21(20)26-22)6-4-12-24-19/h3-13H,1-2H3,(H,25,26)
InChIKeyOAMOZFLCWXZHHE-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.11
Rot. Bonds3

About 2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline

2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 46866651) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID46866651
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCC(C)Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C22H18N4O/c1-13(2)27-15-9-7-14(8-10-15)22-25-20-16-5-3-11-23-18(16)19-17(21(20)26-22)6-4-12-24-19/h3-13H,1-2H3,(H,25,26)
InChIKeyOAMOZFLCWXZHHE-UHFFFAOYSA-N
XLogP5.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 46866651) is 2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is CC(C)Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is OAMOZFLCWXZHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-13(2)27-15-9-7-14(8-10-15)22-25-20-16-5-3-11-23-18(16)19-17(21(20)26-22)6-4-12-24-19/h3-13H,1-2H3,(H,25,26).
What are the key properties of 2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 354.41 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 46866651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).