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

C20H14N4O — CID 46866550

IUPAC2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCc1ccc(Oc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C20H14N4O/c1-12-6-8-13(9-7-12)25-20-23-18-14-4-2-10-21-16(14)17-15(19(18)24-20)5-3-11-22-17/h2-11H,1H3,(H,23,24)
InChIKeyGEAYVIOCAQYYFO-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.76
Rot. Bonds2

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

2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 46866550) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID46866550
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCc1ccc(Oc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C20H14N4O/c1-12-6-8-13(9-7-12)25-20-23-18-14-4-2-10-21-16(14)17-15(19(18)24-20)5-3-11-22-17/h2-11H,1H3,(H,23,24)
InChIKeyGEAYVIOCAQYYFO-UHFFFAOYSA-N
XLogP4.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.76
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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Related Compounds

2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]-N,N-dimethylethanamine
CID 71533939
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one
CID 86297686
2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 175295426
methyl 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoate
CID 102508548
2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 141245187
1-(4-methylphenoxy)isoquinoline
CID 118474551
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 21304154
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile
CID 46865047
2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 86297884
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline
CID 175822709

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 46866550) is 2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline is Cc1ccc(Oc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is GEAYVIOCAQYYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-12-6-8-13(9-7-12)25-20-23-18-14-4-2-10-21-16(14)17-15(19(18)24-20)5-3-11-22-17/h2-11H,1H3,(H,23,24).
What are the key properties of 2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 326.36 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 46866550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).