2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole

C15H15ClN2S — CID 115552755

IUPAC2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESCc1cccc2nc(CCl)n(CCc3cccs3)c12
InChIInChI=1S/C15H15ClN2S/c1-11-4-2-6-13-15(11)18(14(10-16)17-13)8-7-12-5-3-9-19-12/h2-6,9H,7-8,10H2,1H3
InChIKeyKHELCJOOKQSZTA-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.39
Rot. Bonds4

About 2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole

2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole (PubChem CID 115552755) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole
PubChem CID115552755
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESCc1cccc2nc(CCl)n(CCc3cccs3)c12
InChIInChI=1S/C15H15ClN2S/c1-11-4-2-6-13-15(11)18(14(10-16)17-13)8-7-12-5-3-9-19-12/h2-6,9H,7-8,10H2,1H3
InChIKeyKHELCJOOKQSZTA-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole (CID 115552755) is 2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole is Cc1cccc2nc(CCl)n(CCc3cccs3)c12.
What is the InChIKey of 2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole?
The InChIKey is KHELCJOOKQSZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-11-4-2-6-13-15(11)18(14(10-16)17-13)8-7-12-5-3-9-19-12/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole?
2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole has a molecular weight of 290.82 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole is sourced from PubChem (CID 115552755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).