1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide

C18H19BrN2 — CID 11739397

IUPAC1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide
SMILESCC(C)N1CC[n+]2c1c1ccccc1c1ccccc12.[Br-]
InChIInChI=1S/C18H19N2.BrH/c1-13(2)19-11-12-20-17-10-6-5-8-15(17)14-7-3-4-9-16(14)18(19)20;/h3-10,13H,11-12H2,1-2H3;1H/q+1;/p-1
InChIKeyKUVYVBISALEJFC-UHFFFAOYSA-M
MW343.27 g/mol
LogP0.51
Rot. Bonds1

About 1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide

1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide (PubChem CID 11739397) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide.

Molecular Properties

Compound Name1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide
PubChem CID11739397
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide
SMILESCC(C)N1CC[n+]2c1c1ccccc1c1ccccc12.[Br-]
InChIInChI=1S/C18H19N2.BrH/c1-13(2)19-11-12-20-17-10-6-5-8-15(17)14-7-3-4-9-16(14)18(19)20;/h3-10,13H,11-12H2,1-2H3;1H/q+1;/p-1
InChIKeyKUVYVBISALEJFC-UHFFFAOYSA-M
XLogP0.51
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 50.51
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide?
The IUPAC name of 1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide (CID 11739397) is 1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide.
What is the SMILES notation for 1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide?
The canonical SMILES for 1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide is CC(C)N1CC[n+]2c1c1ccccc1c1ccccc12.[Br-].
What is the InChIKey of 1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide?
The InChIKey is KUVYVBISALEJFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19N2.BrH/c1-13(2)19-11-12-20-17-10-6-5-8-15(17)14-7-3-4-9-16(14)18(19)20;/h3-10,13H,11-12H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide?
1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide has a molecular weight of 343.27 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium bromide is sourced from PubChem (CID 11739397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).