2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole

C14H13ClN2S — CID 61477875

IUPAC2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole
SMILESClCc1nc2ccccc2n1CCc1ccsc1
InChIInChI=1S/C14H13ClN2S/c15-9-14-16-12-3-1-2-4-13(12)17(14)7-5-11-6-8-18-10-11/h1-4,6,8,10H,5,7,9H2
InChIKeyDPFMYBAGLGJCEL-UHFFFAOYSA-N
MW276.79 g/mol
LogP4.08
Rot. Bonds4

About 2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole

2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole (PubChem CID 61477875) has the molecular formula C14H13ClN2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole
PubChem CID61477875
Molecular FormulaC14H13ClN2S
Molecular Weight276.79 g/mol
Exact Mass276.05
IUPAC Name2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole
SMILESClCc1nc2ccccc2n1CCc1ccsc1
InChIInChI=1S/C14H13ClN2S/c15-9-14-16-12-3-1-2-4-13(12)17(14)7-5-11-6-8-18-10-11/h1-4,6,8,10H,5,7,9H2
InChIKeyDPFMYBAGLGJCEL-UHFFFAOYSA-N
XLogP4.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
CID 79294299
2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole
CID 63246452
2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292245
2-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63240109
2-(chloromethyl)-5-methoxy-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
CID 115322838
2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole
CID 63226848
N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 29075823
5-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420298
2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole
CID 43666246
2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
CID 16995695
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
2-(chloromethyl)-1-(3-phenylbutyl)benzimidazole
CID 63547545

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole (CID 61477875) is 2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole is ClCc1nc2ccccc2n1CCc1ccsc1.
What is the InChIKey of 2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole?
The InChIKey is DPFMYBAGLGJCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2S/c15-9-14-16-12-3-1-2-4-13(12)17(14)7-5-11-6-8-18-10-11/h1-4,6,8,10H,5,7,9H2.
What are the key properties of 2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole?
2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole has a molecular weight of 276.79 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole is sourced from PubChem (CID 61477875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).