3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole

C15H12ClN3S — CID 3721323

IUPAC3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole
SMILESClCCn1c(-c2cccs2)cn2c3ccccc3nc12
InChIInChI=1S/C15H12ClN3S/c16-7-8-18-13(14-6-3-9-20-14)10-19-12-5-2-1-4-11(12)17-15(18)19/h1-6,9-10H,7-8H2
InChIKeyLTYBWMJVEXIRCZ-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.26
Rot. Bonds3

About 3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole

3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole (PubChem CID 3721323) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole
PubChem CID3721323
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC Name3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole
SMILESClCCn1c(-c2cccs2)cn2c3ccccc3nc12
InChIInChI=1S/C15H12ClN3S/c16-7-8-18-13(14-6-3-9-20-14)10-19-12-5-2-1-4-11(12)17-15(18)19/h1-6,9-10H,7-8H2
InChIKeyLTYBWMJVEXIRCZ-UHFFFAOYSA-N
XLogP4.26
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole
CID 3265105
2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
CID 3374476
2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
CID 1068607
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole
CID 86304031
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
CID 2851496
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;hydrochloride
CID 146051190
2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine
CID 86303576
3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole
CID 86304029
diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
CID 6985044
1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one
CID 4789379

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole?
The IUPAC name of 3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole (CID 3721323) is 3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole?
The canonical SMILES for 3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole is ClCCn1c(-c2cccs2)cn2c3ccccc3nc12.
What is the InChIKey of 3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole?
The InChIKey is LTYBWMJVEXIRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S/c16-7-8-18-13(14-6-3-9-20-14)10-19-12-5-2-1-4-11(12)17-15(18)19/h1-6,9-10H,7-8H2.
What are the key properties of 3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole?
3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole has a molecular weight of 301.80 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 3721323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).