1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol

C16H19ClN3O+ — CID 67300574

IUPAC1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
SMILESCCCCN1c2nccc[n+]2CC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN3O/c1-2-3-11-20-15-18-9-4-10-19(15)12-16(20,21)13-5-7-14(17)8-6-13/h4-10,21H,2-3,11-12H2,1H3/q+1
InChIKeyFGZZAZILHQCKKZ-UHFFFAOYSA-N
MW304.80 g/mol
LogP2.49
Rot. Bonds4

About 1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol

1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol (PubChem CID 67300574) has the molecular formula C16H19ClN3O+ and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol.

Molecular Properties

Compound Name1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
PubChem CID67300574
Molecular FormulaC16H19ClN3O+
Molecular Weight304.80 g/mol
Exact Mass304.12
IUPAC Name1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
SMILESCCCCN1c2nccc[n+]2CC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN3O/c1-2-3-11-20-15-18-9-4-10-19(15)12-16(20,21)13-5-7-14(17)8-6-13/h4-10,21H,2-3,11-12H2,1H3/q+1
InChIKeyFGZZAZILHQCKKZ-UHFFFAOYSA-N
XLogP2.49
TPSA40.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol 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

2-(4-chlorophenyl)-1-hexyl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
CID 67300486
(2S)-1-butyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
CID 56658014
(2S)-1-dodecyl-2-phenyl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
CID 56661626
(2S)-2-(4-chlorophenyl)-1-cyclododecyl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
CID 56668487
1-(2-azidoethyl)-2-(3,4-dichlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
CID 71236812
2-(4-chlorophenyl)-1-cyclooctyl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
CID 67300608
2-(4-methylphenyl)-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
CID 67300528
(2S)-2-(4-nitrophenyl)-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
CID 56661638
(2S)-1-cyclobutyl-2-phenyl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
CID 56658106
(2S)-1-[(3-methoxyphenyl)methyl]-2-(4-nitrophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
CID 56682030
(2S)-1-tert-butyl-2-(4-nitrophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
CID 56668509
(2S)-1-cycloheptyl-2-phenyl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
CID 56675370

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol?
The IUPAC name of 1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol (CID 67300574) is 1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol.
What is the SMILES notation for 1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol?
The canonical SMILES for 1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol is CCCCN1c2nccc[n+]2CC1(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol?
The InChIKey is FGZZAZILHQCKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN3O/c1-2-3-11-20-15-18-9-4-10-19(15)12-16(20,21)13-5-7-14(17)8-6-13/h4-10,21H,2-3,11-12H2,1H3/q+1.
What are the key properties of 1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol?
1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol has a molecular weight of 304.80 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-chlorophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol is sourced from PubChem (CID 67300574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).