6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole

C14H18Cl2N2O — CID 115471350

IUPAC6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole
SMILESCCOCC(C)n1c(CCCl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18Cl2N2O/c1-3-19-9-10(2)18-13-8-11(16)4-5-12(13)17-14(18)6-7-15/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyWRUOVHOFVVOGTG-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.07
Rot. Bonds6

About 6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole

6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole (PubChem CID 115471350) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole
PubChem CID115471350
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole
SMILESCCOCC(C)n1c(CCCl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18Cl2N2O/c1-3-19-9-10(2)18-13-8-11(16)4-5-12(13)17-14(18)6-7-15/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyWRUOVHOFVVOGTG-UHFFFAOYSA-N
XLogP4.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.07
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-(2-chloroethyl)-1-(4-methylpentan-2-yl)benzimidazole
CID 113316284
2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 115471248
6-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 115471186
6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 115471463
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82950661
6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 113316375
5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
CID 43666604
6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238
6-chloro-2-(chloromethyl)-1-(1-methoxybutan-2-yl)benzimidazole
CID 113316386
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360
2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 65346330
2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82950751

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole?
The IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole (CID 115471350) is 6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole?
The canonical SMILES for 6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole is CCOCC(C)n1c(CCCl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole?
The InChIKey is WRUOVHOFVVOGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-3-19-9-10(2)18-13-8-11(16)4-5-12(13)17-14(18)6-7-15/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of 6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole?
6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole has a molecular weight of 301.22 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole is sourced from PubChem (CID 115471350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).