bromomethane;1-ethyl-3-methylbenzimidazol-3-ium

C11H16BrN2+ — CID 91100213

IUPACbromomethane;1-ethyl-3-methylbenzimidazol-3-ium
SMILESCBr.CCn1c[n+](C)c2ccccc21
InChIInChI=1S/C10H13N2.CH3Br/c1-3-12-8-11(2)9-6-4-5-7-10(9)12;1-2/h4-8H,3H2,1-2H3;1H3/q+1;
InChIKeyHFKRGFQTLGWMDY-UHFFFAOYSA-N
MW256.17 g/mol
LogP2.50
Rot. Bonds1

About bromomethane;1-ethyl-3-methylbenzimidazol-3-ium

bromomethane;1-ethyl-3-methylbenzimidazol-3-ium (PubChem CID 91100213) has the molecular formula C11H16BrN2+ and a molecular weight of 256.17 g/mol. Its IUPAC name is bromomethane;1-ethyl-3-methylbenzimidazol-3-ium.

Molecular Properties

Compound Namebromomethane;1-ethyl-3-methylbenzimidazol-3-ium
PubChem CID91100213
Molecular FormulaC11H16BrN2+
Molecular Weight256.17 g/mol
Exact Mass255.05
IUPAC Namebromomethane;1-ethyl-3-methylbenzimidazol-3-ium
SMILESCBr.CCn1c[n+](C)c2ccccc21
InChIInChI=1S/C10H13N2.CH3Br/c1-3-12-8-11(2)9-6-4-5-7-10(9)12;1-2/h4-8H,3H2,1-2H3;1H3/q+1;
InChIKeyHFKRGFQTLGWMDY-UHFFFAOYSA-N
XLogP2.50
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methylbenzimidazol-3-ium formate
CID 142755390
1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)propyl]benzimidazol-1-ium
CID 3815671
1-methyl-3-[4-(3-methylbenzimidazol-3-ium-1-yl)butyl]benzimidazol-1-ium
CID 3790184
1-methyl-3-[6-(3-methylbenzimidazol-3-ium-1-yl)hexyl]benzimidazol-1-ium
CID 24809001
1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)propyl]benzimidazol-1-ium;dihydroiodide
CID 126956999
1-butyl-3-methylbenzimidazol-3-ium bromide
CID 87786122
1-methyl-3-[12-(3-methylbenzimidazol-3-ium-1-yl)dodecyl]benzimidazol-1-ium dibromide
CID 24808790
2-(3-methylbenzimidazol-3-ium-1-yl)acetaldehyde
CID 89178950
1-methyl-3-propylbenzimidazol-1-ium hexafluorophosphate
CID 139045228
1-methyl-3-prop-2-enylbenzimidazol-1-ium bromide
CID 13211192
1-docosyl-3-methylbenzimidazol-3-ium bromide
CID 118561126
dichloromethane;1-ethyl-3-methylbenzimidazol-3-ium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139177679

Frequently Asked Questions

What is the IUPAC name of bromomethane;1-ethyl-3-methylbenzimidazol-3-ium?
The IUPAC name of bromomethane;1-ethyl-3-methylbenzimidazol-3-ium (CID 91100213) is bromomethane;1-ethyl-3-methylbenzimidazol-3-ium.
What is the SMILES notation for bromomethane;1-ethyl-3-methylbenzimidazol-3-ium?
The canonical SMILES for bromomethane;1-ethyl-3-methylbenzimidazol-3-ium is CBr.CCn1c[n+](C)c2ccccc21.
What is the InChIKey of bromomethane;1-ethyl-3-methylbenzimidazol-3-ium?
The InChIKey is HFKRGFQTLGWMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2.CH3Br/c1-3-12-8-11(2)9-6-4-5-7-10(9)12;1-2/h4-8H,3H2,1-2H3;1H3/q+1;.
What are the key properties of bromomethane;1-ethyl-3-methylbenzimidazol-3-ium?
bromomethane;1-ethyl-3-methylbenzimidazol-3-ium has a molecular weight of 256.17 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;1-ethyl-3-methylbenzimidazol-3-ium is sourced from PubChem (CID 91100213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).