5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium

C9H10ClN2+ — CID 123170137

IUPAC5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium
SMILESCC1N=c2cc(Cl)ccc2=[N+]1C
InChIInChI=1S/C9H10ClN2/c1-6-11-8-5-7(10)3-4-9(8)12(6)2/h3-6H,1-2H3/q+1
InChIKeyQVERGXRHSZFEHY-UHFFFAOYSA-N
MW181.65 g/mol
LogP0.44
Rot. Bonds

About 5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium

5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium (PubChem CID 123170137) has the molecular formula C9H10ClN2+ and a molecular weight of 181.65 g/mol. Its IUPAC name is 5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium.

Molecular Properties

Compound Name5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium
PubChem CID123170137
Molecular FormulaC9H10ClN2+
Molecular Weight181.65 g/mol
Exact Mass181.05
IUPAC Name5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium
SMILESCC1N=c2cc(Cl)ccc2=[N+]1C
InChIInChI=1S/C9H10ClN2/c1-6-11-8-5-7(10)3-4-9(8)12(6)2/h3-6H,1-2H3/q+1
InChIKeyQVERGXRHSZFEHY-UHFFFAOYSA-N
XLogP0.44
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.65
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 57972525
2-methyl-2H-benzimidazole
CID 68857632
1,2,2-Trimethylbenzimidazol-1-ium
CID 69529308
2-(trichloromethyl)-2H-benzimidazole
CID 70503094
1-Methyl-2H-benzimidazol-1-ium
CID 71406810
3-Methyl-2,3a-dihydrobenzimidazole
CID 90246614
2-ethyl-1-methyl-2H-benzimidazol-1-ium
CID 90908036
2-ethyl-2H-benzimidazole
CID 91423824
(4-Chloro-6-methyliminocyclohexa-2,4-dien-1-ylidene)-ethyl-methylazanium
CID 123432956
ethane;2-methyl-2H-benzimidazole
CID 144020976

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium?
The IUPAC name of 5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium (CID 123170137) is 5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium.
What is the SMILES notation for 5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium?
The canonical SMILES for 5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium is CC1N=c2cc(Cl)ccc2=[N+]1C.
What is the InChIKey of 5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium?
The InChIKey is QVERGXRHSZFEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN2/c1-6-11-8-5-7(10)3-4-9(8)12(6)2/h3-6H,1-2H3/q+1.
What are the key properties of 5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium?
5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium has a molecular weight of 181.65 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium is sourced from PubChem (CID 123170137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).