2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide

C15H18BrN3O — CID 67300735

IUPAC2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
SMILESCC(C)N1c2nccc[n+]2CC1(O)c1ccccc1.[Br-]
InChIInChI=1S/C15H18N3O.BrH/c1-12(2)18-14-16-9-6-10-17(14)11-15(18,19)13-7-4-3-5-8-13;/h3-10,12,19H,11H2,1-2H3;1H/q+1;/p-1
InChIKeyRVJMKPABUGZGHJ-UHFFFAOYSA-M
MW336.23 g/mol
LogP-1.55
Rot. Bonds2

About 2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide

2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide (PubChem CID 67300735) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide.

Molecular Properties

Compound Name2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
PubChem CID67300735
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
SMILESCC(C)N1c2nccc[n+]2CC1(O)c1ccccc1.[Br-]
InChIInChI=1S/C15H18N3O.BrH/c1-12(2)18-14-16-9-6-10-17(14)11-15(18,19)13-7-4-3-5-8-13;/h3-10,12,19H,11H2,1-2H3;1H/q+1;/p-1
InChIKeyRVJMKPABUGZGHJ-UHFFFAOYSA-M
XLogP-1.55
TPSA40.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-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 2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide?
The IUPAC name of 2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide (CID 67300735) is 2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide.
What is the SMILES notation for 2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide?
The canonical SMILES for 2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide is CC(C)N1c2nccc[n+]2CC1(O)c1ccccc1.[Br-].
What is the InChIKey of 2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide?
The InChIKey is RVJMKPABUGZGHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N3O.BrH/c1-12(2)18-14-16-9-6-10-17(14)11-15(18,19)13-7-4-3-5-8-13;/h3-10,12,19H,11H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide?
2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide has a molecular weight of 336.23 g/mol, XLogP of -1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide is sourced from PubChem (CID 67300735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).