6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole

C19H21ClN2O2 — CID 46309156

IUPAC6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(COc2ccc(C)cc2C)nc2ccc(Cl)cc21
InChIInChI=1S/C19H21ClN2O2/c1-13-4-7-18(14(2)10-13)24-12-19-21-16-6-5-15(20)11-17(16)22(19)8-9-23-3/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeySKKIFRHWIRPZTJ-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.53
Rot. Bonds6

About 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole

6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole (PubChem CID 46309156) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole
PubChem CID46309156
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(COc2ccc(C)cc2C)nc2ccc(Cl)cc21
InChIInChI=1S/C19H21ClN2O2/c1-13-4-7-18(14(2)10-13)24-12-19-21-16-6-5-15(20)11-17(16)22(19)8-9-23-3/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeySKKIFRHWIRPZTJ-UHFFFAOYSA-N
XLogP4.53
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309291
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
CID 46310370
5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309290
4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine
CID 46309567
6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 46309145
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole
CID 46310252
6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46309283
5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,4-dimethylphenoxy)methyl]benzimidazole
CID 46309847
2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 9013564
2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 43660301
2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
CID 16997079
5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole
CID 46308613

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole?
The IUPAC name of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole (CID 46309156) is 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole is COCCn1c(COc2ccc(C)cc2C)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole?
The InChIKey is SKKIFRHWIRPZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-4-7-18(14(2)10-13)24-12-19-21-16-6-5-15(20)11-17(16)22(19)8-9-23-3/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole?
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole has a molecular weight of 344.84 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole is sourced from PubChem (CID 46309156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).