2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole

C13H10ClIN2S — CID 66351083

IUPAC2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole
SMILESClCCc1nc2cc(I)ccc2n1-c1ccsc1
InChIInChI=1S/C13H10ClIN2S/c14-5-3-13-16-11-7-9(15)1-2-12(11)17(13)10-4-6-18-8-10/h1-2,4,6-8H,3,5H2
InChIKeyICFBXLPCPHVOOC-UHFFFAOYSA-N
MW388.66 g/mol
LogP4.47
Rot. Bonds3

About 2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole

2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole (PubChem CID 66351083) has the molecular formula C13H10ClIN2S and a molecular weight of 388.66 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole
PubChem CID66351083
Molecular FormulaC13H10ClIN2S
Molecular Weight388.66 g/mol
Exact Mass387.93
IUPAC Name2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole
SMILESClCCc1nc2cc(I)ccc2n1-c1ccsc1
InChIInChI=1S/C13H10ClIN2S/c14-5-3-13-16-11-7-9(15)1-2-12(11)17(13)10-4-6-18-8-10/h1-2,4,6-8H,3,5H2
InChIKeyICFBXLPCPHVOOC-UHFFFAOYSA-N
XLogP4.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.66
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole
CID 66351096
2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
CID 43666862
3-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]benzonitrile
CID 66080040
2-(5-iodo-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 66352612
1-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081431
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
CID 66082431
2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole
CID 66079847
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
CID 66093008
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 81280861
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081437
2-(2-chloroethyl)-3-(4-iodophenyl)benzimidazole-5-carbonitrile
CID 104715345
2-(2-chloroethyl)-5-iodo-1-(2-methylsulfanylethyl)benzimidazole
CID 66081873

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole (CID 66351083) is 2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole is ClCCc1nc2cc(I)ccc2n1-c1ccsc1.
What is the InChIKey of 2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole?
The InChIKey is ICFBXLPCPHVOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2S/c14-5-3-13-16-11-7-9(15)1-2-12(11)17(13)10-4-6-18-8-10/h1-2,4,6-8H,3,5H2.
What are the key properties of 2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole?
2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole has a molecular weight of 388.66 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole is sourced from PubChem (CID 66351083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).