6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole

C12H14Cl2N2S — CID 115471567

IUPAC6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
SMILESCSCCn1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C12H14Cl2N2S/c1-8(13)12-15-10-4-3-9(14)7-11(10)16(12)5-6-17-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyWVSBXOPVWIKJOS-UHFFFAOYSA-N
MW289.23 g/mol
LogP4.35
Rot. Bonds4

About 6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole

6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole (PubChem CID 115471567) has the molecular formula C12H14Cl2N2S and a molecular weight of 289.23 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
PubChem CID115471567
Molecular FormulaC12H14Cl2N2S
Molecular Weight289.23 g/mol
Exact Mass288.03
IUPAC Name6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
SMILESCSCCn1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C12H14Cl2N2S/c1-8(13)12-15-10-4-3-9(14)7-11(10)16(12)5-6-17-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyWVSBXOPVWIKJOS-UHFFFAOYSA-N
XLogP4.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 54.35
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

6-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494127
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
2-(1-chloroethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63958886
6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 115471181
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326511
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
6-chloro-2-(1-chloroethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 115471398
6-chloro-2-(1-chloroethyl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 115471528
6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 115470773
1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 106038122
6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 113316345

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole (CID 115471567) is 6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole is CSCCn1c(C(C)Cl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole?
The InChIKey is WVSBXOPVWIKJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2S/c1-8(13)12-15-10-4-3-9(14)7-11(10)16(12)5-6-17-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole?
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole has a molecular weight of 289.23 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole is sourced from PubChem (CID 115471567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).