6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole

C17H17ClN2O2 — CID 46309145

IUPAC6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
SMILESCOCCn1c(COc2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H17ClN2O2/c1-21-10-9-20-16-11-13(18)7-8-15(16)19-17(20)12-22-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3
InChIKeyDSSBBDBEAJAJFO-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.92
Rot. Bonds6

About 6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole

6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole (PubChem CID 46309145) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
PubChem CID46309145
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
SMILESCOCCn1c(COc2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H17ClN2O2/c1-21-10-9-20-16-11-13(18)7-8-15(16)19-17(20)12-22-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3
InChIKeyDSSBBDBEAJAJFO-UHFFFAOYSA-N
XLogP3.92
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46309158
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole
CID 46309156
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360
6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46309283
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
CID 134126909
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
6-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310916
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
CID 46309104

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole?
The IUPAC name of 6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole (CID 46309145) is 6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole.
What is the SMILES notation for 6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole?
The canonical SMILES for 6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole is COCCn1c(COc2ccccc2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole?
The InChIKey is DSSBBDBEAJAJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-21-10-9-20-16-11-13(18)7-8-15(16)19-17(20)12-22-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole?
6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole has a molecular weight of 316.79 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole is sourced from PubChem (CID 46309145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).