1-butylimidazo[1,2-f]phenanthridin-1-ium

C19H19N2+ — CID 11523244

IUPAC1-butylimidazo[1,2-f]phenanthridin-1-ium
SMILESCCCC[n+]1ccn2c3ccccc3c3ccccc3c21
InChIInChI=1S/C19H19N2/c1-2-3-12-20-13-14-21-18-11-7-6-9-16(18)15-8-4-5-10-17(15)19(20)21/h4-11,13-14H,2-3,12H2,1H3/q+1
InChIKeyYYNSHZYLJDTMBF-UHFFFAOYSA-N
MW275.38 g/mol
LogP4.33
Rot. Bonds3

About 1-butylimidazo[1,2-f]phenanthridin-1-ium

1-butylimidazo[1,2-f]phenanthridin-1-ium (PubChem CID 11523244) has the molecular formula C19H19N2+ and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-butylimidazo[1,2-f]phenanthridin-1-ium.

Molecular Properties

Compound Name1-butylimidazo[1,2-f]phenanthridin-1-ium
PubChem CID11523244
Molecular FormulaC19H19N2+
Molecular Weight275.38 g/mol
Exact Mass275.15
IUPAC Name1-butylimidazo[1,2-f]phenanthridin-1-ium
SMILESCCCC[n+]1ccn2c3ccccc3c3ccccc3c21
InChIInChI=1S/C19H19N2/c1-2-3-12-20-13-14-21-18-11-7-6-9-16(18)15-8-4-5-10-17(15)19(20)21/h4-11,13-14H,2-3,12H2,1H3/q+1
InChIKeyYYNSHZYLJDTMBF-UHFFFAOYSA-N
XLogP4.33
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-butylimidazo[1,2-f]phenanthridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium
CID 139112602
1-butyl-3-ethyl-2-phenylimidazol-1-ium
CID 87808248
6-butyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-6-ium-2-one iodide
CID 11682848
1-butyl-2,3-diphenylimidazol-1-ium
CID 87808145
1-butyl-2-methylpyridin-1-ium
CID 13240378
1-dodecyl-3-pentadecyl-2-phenylimidazol-3-ium
CID 87805437
1-decyl-2-phenyl-3-tridecylimidazol-3-ium
CID 87811425
1-butyl-2-phenyl-3-tetradecylimidazol-3-ium
CID 87811205
2-benzyl-1-butyl-3-ethylimidazol-1-ium
CID 87809346
1-heptyl-3-nonyl-2-phenylimidazol-1-ium
CID 87811198
1-nonadecyl-3-octyl-2-phenylimidazol-1-ium
CID 87897127
9-hexadecylcarbazole
CID 4166588

Frequently Asked Questions

What is the IUPAC name of 1-butylimidazo[1,2-f]phenanthridin-1-ium?
The IUPAC name of 1-butylimidazo[1,2-f]phenanthridin-1-ium (CID 11523244) is 1-butylimidazo[1,2-f]phenanthridin-1-ium.
What is the SMILES notation for 1-butylimidazo[1,2-f]phenanthridin-1-ium?
The canonical SMILES for 1-butylimidazo[1,2-f]phenanthridin-1-ium is CCCC[n+]1ccn2c3ccccc3c3ccccc3c21.
What is the InChIKey of 1-butylimidazo[1,2-f]phenanthridin-1-ium?
The InChIKey is YYNSHZYLJDTMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2/c1-2-3-12-20-13-14-21-18-11-7-6-9-16(18)15-8-4-5-10-17(15)19(20)21/h4-11,13-14H,2-3,12H2,1H3/q+1.
What are the key properties of 1-butylimidazo[1,2-f]phenanthridin-1-ium?
1-butylimidazo[1,2-f]phenanthridin-1-ium has a molecular weight of 275.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylimidazo[1,2-f]phenanthridin-1-ium is sourced from PubChem (CID 11523244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).