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

C15H14Cl2N2S — CID 61477720

IUPAC7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
SMILESCc1ccc(C(C)n2c(CCl)nc3cccc(Cl)c32)s1
InChIInChI=1S/C15H14Cl2N2S/c1-9-6-7-13(20-9)10(2)19-14(8-16)18-12-5-3-4-11(17)15(12)19/h3-7,10H,8H2,1-2H3
InChIKeyXEORDWVNLCJXBO-UHFFFAOYSA-N
MW325.26 g/mol
LogP5.41
Rot. Bonds3

About 7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole

7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole (PubChem CID 61477720) has the molecular formula C15H14Cl2N2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
PubChem CID61477720
Molecular FormulaC15H14Cl2N2S
Molecular Weight325.26 g/mol
Exact Mass324.03
IUPAC Name7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
SMILESCc1ccc(C(C)n2c(CCl)nc3cccc(Cl)c32)s1
InChIInChI=1S/C15H14Cl2N2S/c1-9-6-7-13(20-9)10(2)19-14(8-16)18-12-5-3-4-11(17)15(12)19/h3-7,10H,8H2,1-2H3
InChIKeyXEORDWVNLCJXBO-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole?
The IUPAC name of 7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole (CID 61477720) is 7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole?
The canonical SMILES for 7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole is Cc1ccc(C(C)n2c(CCl)nc3cccc(Cl)c32)s1.
What is the InChIKey of 7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole?
The InChIKey is XEORDWVNLCJXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2S/c1-9-6-7-13(20-9)10(2)19-14(8-16)18-12-5-3-4-11(17)15(12)19/h3-7,10H,8H2,1-2H3.
What are the key properties of 7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole?
7-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 7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 61477720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).