1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide

C14H15IN2S — CID 10666827

IUPAC1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide
SMILESCc1ccsc1-c1n(C)c2ccccc2[n+]1C.[I-]
InChIInChI=1S/C14H15N2S.HI/c1-10-8-9-17-13(10)14-15(2)11-6-4-5-7-12(11)16(14)3;/h4-9H,1-3H3;1H/q+1;/p-1
InChIKeyGIUKHYKYFDNWDC-UHFFFAOYSA-M
MW370.26 g/mol
LogP0.04
Rot. Bonds1

About 1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide

1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide (PubChem CID 10666827) has the molecular formula C14H15IN2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide.

Molecular Properties

Compound Name1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide
PubChem CID10666827
Molecular FormulaC14H15IN2S
Molecular Weight370.26 g/mol
Exact Mass370.00
IUPAC Name1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide
SMILESCc1ccsc1-c1n(C)c2ccccc2[n+]1C.[I-]
InChIInChI=1S/C14H15N2S.HI/c1-10-8-9-17-13(10)14-15(2)11-6-4-5-7-12(11)16(14)3;/h4-9H,1-3H3;1H/q+1;/p-1
InChIKeyGIUKHYKYFDNWDC-UHFFFAOYSA-M
XLogP0.04
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2-(4-methylphenyl)benzimidazol-3-ium iodide
CID 18590552
1,3-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]benzimidazol-3-ium
CID 140920516
1,3-dimethyl-2-(3-methylphenyl)benzimidazol-3-ium
CID 102032328
3-(1,3-dimethylbenzimidazol-3-ium-2-yl)-4-methylbenzonitrile
CID 176787802
1,3-dimethyl-2-(1-phenylpyridin-1-ium-4-yl)benzimidazol-3-ium ditetrafluoroborate
CID 164517982
1,3-dimethyl-2-(2-methylnaphtho[2,3-b][1]benzofuran-3-yl)benzimidazol-3-ium
CID 176787861
7-(1,3-dimethylbenzimidazol-3-ium-2-yl)-6-methyl-2-(2-methylpropyl)-1,3-benzothiazole
CID 161494612
2-chloro-1,3-dimethylbenzimidazol-3-ium chloride
CID 11241401
[4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane
CID 176787499
1,3-dimethyl-2-propan-2-ylbenzimidazol-3-ium
CID 87086317
1,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-3-ium iodide
CID 129069540
2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium
CID 158178011

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide?
The IUPAC name of 1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide (CID 10666827) is 1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide.
What is the SMILES notation for 1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide?
The canonical SMILES for 1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide is Cc1ccsc1-c1n(C)c2ccccc2[n+]1C.[I-].
What is the InChIKey of 1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide?
The InChIKey is GIUKHYKYFDNWDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15N2S.HI/c1-10-8-9-17-13(10)14-15(2)11-6-4-5-7-12(11)16(14)3;/h4-9H,1-3H3;1H/q+1;/p-1.
What are the key properties of 1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide?
1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide has a molecular weight of 370.26 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide is sourced from PubChem (CID 10666827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).