3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide

C20H22BrFN2O — CID 18553239

IUPAC3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
SMILESCc1cccc(N2CC(O)(c3ccc(F)cc3)[N+]3=C2CCCC3)c1.[Br-]
InChIInChI=1S/C20H22FN2O.BrH/c1-15-5-4-6-18(13-15)22-14-20(24,16-8-10-17(21)11-9-16)23-12-3-2-7-19(22)23;/h4-6,8-11,13,24H,2-3,7,12,14H2,1H3;1H/q+1;/p-1
InChIKeyUYGWZAXREGSUJM-UHFFFAOYSA-M
MW405.31 g/mol
LogP0.40
Rot. Bonds2

About 3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide

3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide (PubChem CID 18553239) has the molecular formula C20H22BrFN2O and a molecular weight of 405.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
PubChem CID18553239
Molecular FormulaC20H22BrFN2O
Molecular Weight405.31 g/mol
Exact Mass404.09
IUPAC Name3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
SMILESCc1cccc(N2CC(O)(c3ccc(F)cc3)[N+]3=C2CCCC3)c1.[Br-]
InChIInChI=1S/C20H22FN2O.BrH/c1-15-5-4-6-18(13-15)22-14-20(24,16-8-10-17(21)11-9-16)23-12-3-2-7-19(22)23;/h4-6,8-11,13,24H,2-3,7,12,14H2,1H3;1H/q+1;/p-1
InChIKeyUYGWZAXREGSUJM-UHFFFAOYSA-M
XLogP0.40
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
The IUPAC name of 3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide (CID 18553239) is 3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
The canonical SMILES for 3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide is Cc1cccc(N2CC(O)(c3ccc(F)cc3)[N+]3=C2CCCC3)c1.[Br-].
What is the InChIKey of 3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
The InChIKey is UYGWZAXREGSUJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22FN2O.BrH/c1-15-5-4-6-18(13-15)22-14-20(24,16-8-10-17(21)11-9-16)23-12-3-2-7-19(22)23;/h4-6,8-11,13,24H,2-3,7,12,14H2,1H3;1H/q+1;/p-1.
What are the key properties of 3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide has a molecular weight of 405.31 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide is sourced from PubChem (CID 18553239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).