2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride

C22H15ClFN5 — CID 133065448

IUPAC2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride
SMILESCc1[nH]c2cc(F)ccc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Cl
InChIInChI=1S/C22H14FN5.ClH/c1-11-17(13-7-6-12(23)10-16(13)26-11)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19;/h2-10,26H,1H3,(H,27,28);1H
InChIKeyDCTZFBNDUHPMQU-UHFFFAOYSA-N
MW403.85 g/mol
LogP5.68
Rot. Bonds1

About 2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride

2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride (PubChem CID 133065448) has the molecular formula C22H15ClFN5 and a molecular weight of 403.85 g/mol. Its IUPAC name is 2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride.

Molecular Properties

Compound Name2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride
PubChem CID133065448
Molecular FormulaC22H15ClFN5
Molecular Weight403.85 g/mol
Exact Mass403.10
IUPAC Name2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride
SMILESCc1[nH]c2cc(F)ccc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Cl
InChIInChI=1S/C22H14FN5.ClH/c1-11-17(13-7-6-12(23)10-16(13)26-11)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19;/h2-10,26H,1H3,(H,27,28);1H
InChIKeyDCTZFBNDUHPMQU-UHFFFAOYSA-N
XLogP5.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.85
LogP ≤ 55.68
H-Bond Donors ≤ 52
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 2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride?
The IUPAC name of 2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride (CID 133065448) is 2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride.
What is the SMILES notation for 2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride?
The canonical SMILES for 2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride is Cc1[nH]c2cc(F)ccc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Cl.
What is the InChIKey of 2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride?
The InChIKey is DCTZFBNDUHPMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5.ClH/c1-11-17(13-7-6-12(23)10-16(13)26-11)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19;/h2-10,26H,1H3,(H,27,28);1H.
What are the key properties of 2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride?
2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride has a molecular weight of 403.85 g/mol, XLogP of 5.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride is sourced from PubChem (CID 133065448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).