7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole

C15H13Cl3N2S — CID 63547181

IUPAC7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole
SMILESCC(c1ccc(Cl)s1)n1c(CCCl)nc2cccc(Cl)c21
InChIInChI=1S/C15H13Cl3N2S/c1-9(12-5-6-13(18)21-12)20-14(7-8-16)19-11-4-2-3-10(17)15(11)20/h2-6,9H,7-8H2,1H3
InChIKeyLNLIMVRFAGTCBN-UHFFFAOYSA-N
MW359.71 g/mol
LogP5.80
Rot. Bonds4

About 7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole

7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole (PubChem CID 63547181) has the molecular formula C15H13Cl3N2S and a molecular weight of 359.71 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole
PubChem CID63547181
Molecular FormulaC15H13Cl3N2S
Molecular Weight359.71 g/mol
Exact Mass357.99
IUPAC Name7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole
SMILESCC(c1ccc(Cl)s1)n1c(CCCl)nc2cccc(Cl)c21
InChIInChI=1S/C15H13Cl3N2S/c1-9(12-5-6-13(18)21-12)20-14(7-8-16)19-11-4-2-3-10(17)15(11)20/h2-6,9H,7-8H2,1H3
InChIKeyLNLIMVRFAGTCBN-UHFFFAOYSA-N
XLogP5.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.71
LogP ≤ 55.80
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-(2-chloroethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 63545596
7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 61477720
7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667598
7-chloro-2-(2-chloroethyl)-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 62117573
2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 43667658
7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
CID 64643619
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propanoic acid
CID 54920211
7-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545399
2-(2-chloroethyl)-1-(2,3-dichlorophenyl)-7-methylbenzimidazole
CID 115552896
2-(2-chloroethyl)-1-(1-methoxypropan-2-yl)-7-methylbenzimidazole
CID 115552669
7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole
CID 43666832

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole (CID 63547181) is 7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole is CC(c1ccc(Cl)s1)n1c(CCCl)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole?
The InChIKey is LNLIMVRFAGTCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2S/c1-9(12-5-6-13(18)21-12)20-14(7-8-16)19-11-4-2-3-10(17)15(11)20/h2-6,9H,7-8H2,1H3.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole?
7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole has a molecular weight of 359.71 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 63547181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).