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

C13H16Cl2N2O — CID 113316296

IUPAC6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C13H16Cl2N2O/c1-3-18-7-6-17-12-8-10(15)4-5-11(12)16-13(17)9(2)14/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyLFIKKWLMFGZAHS-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.03
Rot. Bonds5

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

6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole (PubChem CID 113316296) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
PubChem CID113316296
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C13H16Cl2N2O/c1-3-18-7-6-17-12-8-10(15)4-5-11(12)16-13(17)9(2)14/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyLFIKKWLMFGZAHS-UHFFFAOYSA-N
XLogP4.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567
(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 51977609
6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 115471181
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
CID 46309104
6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 113316345
6-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494127
2-[6-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanamine
CID 46309314
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326511
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole (CID 113316296) is 6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole is CCOCCn1c(C(C)Cl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole?
The InChIKey is LFIKKWLMFGZAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-3-18-7-6-17-12-8-10(15)4-5-11(12)16-13(17)9(2)14/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole?
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole has a molecular weight of 287.19 g/mol, XLogP of 4.03, 5 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-ethoxyethyl)benzimidazole is sourced from PubChem (CID 113316296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).