1-methoxy-3-propylimidazol-3-ium bromide

C7H13BrN2O — CID 174947138

IUPAC1-methoxy-3-propylimidazol-3-ium bromide
SMILESCCC[n+]1ccn(OC)c1.[Br-]
InChIInChI=1S/C7H13N2O.BrH/c1-3-4-8-5-6-9(7-8)10-2;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyQLNAFCNGMFLSTR-UHFFFAOYSA-M
MW221.10 g/mol
LogP-2.75
Rot. Bonds3

About 1-methoxy-3-propylimidazol-3-ium bromide

1-methoxy-3-propylimidazol-3-ium bromide (PubChem CID 174947138) has the molecular formula C7H13BrN2O and a molecular weight of 221.10 g/mol. Its IUPAC name is 1-methoxy-3-propylimidazol-3-ium bromide.

Molecular Properties

Compound Name1-methoxy-3-propylimidazol-3-ium bromide
PubChem CID174947138
Molecular FormulaC7H13BrN2O
Molecular Weight221.10 g/mol
Exact Mass220.02
IUPAC Name1-methoxy-3-propylimidazol-3-ium bromide
SMILESCCC[n+]1ccn(OC)c1.[Br-]
InChIInChI=1S/C7H13N2O.BrH/c1-3-4-8-5-6-9(7-8)10-2;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyQLNAFCNGMFLSTR-UHFFFAOYSA-M
XLogP-2.75
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 5-2.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-3-propylimidazol-3-ium bromide 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

1-butyl-3-propylimidazol-3-ium bromide
CID 16720567
methyl 3-(3-propylimidazol-3-ium-1-yl)propanoate bromide
CID 172695863
1-propyl-3-[4-(3-propylimidazol-3-ium-1-yl)butyl]imidazol-1-ium
CID 118040993
1-(2-methoxyphenyl)-3-propylimidazol-3-ium bromide
CID 86653163
(3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide
CID 175325768
1-propyl-3-undecylimidazol-1-ium
CID 87807956
1-(4,4-difluorobutyl)-3-propylimidazol-3-ium
CID 171054367
1,3-dipropylimidazol-1-ium;2-hydroxy-2-oxoacetate
CID 162308284
1-(2-methylphenyl)-3-propylimidazol-3-ium
CID 58249747
1-butyl-3-ethylimidazol-1-ium
CID 10313448
1-hexadecyl-3-tetradecylimidazol-1-ium bromide
CID 166517209
1,3-dioctylimidazol-1-ium bromide
CID 141246153

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-propylimidazol-3-ium bromide?
The IUPAC name of 1-methoxy-3-propylimidazol-3-ium bromide (CID 174947138) is 1-methoxy-3-propylimidazol-3-ium bromide.
What is the SMILES notation for 1-methoxy-3-propylimidazol-3-ium bromide?
The canonical SMILES for 1-methoxy-3-propylimidazol-3-ium bromide is CCC[n+]1ccn(OC)c1.[Br-].
What is the InChIKey of 1-methoxy-3-propylimidazol-3-ium bromide?
The InChIKey is QLNAFCNGMFLSTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13N2O.BrH/c1-3-4-8-5-6-9(7-8)10-2;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-methoxy-3-propylimidazol-3-ium bromide?
1-methoxy-3-propylimidazol-3-ium bromide has a molecular weight of 221.10 g/mol, XLogP of -2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-propylimidazol-3-ium bromide is sourced from PubChem (CID 174947138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).