5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole

C15H14Cl2N2S — CID 61477689

IUPAC5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
SMILESCc1ccc(C(C)n2c(CCl)nc3cc(Cl)ccc32)s1
InChIInChI=1S/C15H14Cl2N2S/c1-9-3-6-14(20-9)10(2)19-13-5-4-11(17)7-12(13)18-15(19)8-16/h3-7,10H,8H2,1-2H3
InChIKeyXMLNHUHGHDQWPO-UHFFFAOYSA-N
MW325.26 g/mol
LogP5.41
Rot. Bonds3

About 5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole

5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole (PubChem CID 61477689) has the molecular formula C15H14Cl2N2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
PubChem CID61477689
Molecular FormulaC15H14Cl2N2S
Molecular Weight325.26 g/mol
Exact Mass324.03
IUPAC Name5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
SMILESCc1ccc(C(C)n2c(CCl)nc3cc(Cl)ccc32)s1
InChIInChI=1S/C15H14Cl2N2S/c1-9-3-6-14(20-9)10(2)19-13-5-4-11(17)7-12(13)18-15(19)8-16/h3-7,10H,8H2,1-2H3
InChIKeyXMLNHUHGHDQWPO-UHFFFAOYSA-N
XLogP5.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.26
LogP ≤ 55.41
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

7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 61477720
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 43659782
5-chloro-2-(chloromethyl)-1-(3,3-dimethylbutan-2-yl)benzimidazole
CID 104829067
2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79293076
7-chloro-2-(2-chloroethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 63545596
5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66076960
6-chloro-2-(chloromethyl)-1-[1-(2-methylphenyl)ethyl]benzimidazole
CID 115471272
5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
CID 43666604
6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79280071
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
CID 61472347
5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590
1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62595651

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole?
The IUPAC name of 5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole (CID 61477689) is 5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole?
The canonical SMILES for 5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole is Cc1ccc(C(C)n2c(CCl)nc3cc(Cl)ccc32)s1.
What is the InChIKey of 5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole?
The InChIKey is XMLNHUHGHDQWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2S/c1-9-3-6-14(20-9)10(2)19-13-5-4-11(17)7-12(13)18-15(19)8-16/h3-7,10H,8H2,1-2H3.
What are the key properties of 5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole?
5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole has a molecular weight of 325.26 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 61477689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).