5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole

C20H23ClN2O2 — CID 46309290

IUPAC5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(COc2ccc(C)cc2C)nc2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN2O2/c1-4-24-10-9-23-18-7-6-16(21)12-17(18)22-20(23)13-25-19-8-5-14(2)11-15(19)3/h5-8,11-12H,4,9-10,13H2,1-3H3
InChIKeyFLYLVPQJXMUNML-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.92
Rot. Bonds7

About 5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole

5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole (PubChem CID 46309290) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
PubChem CID46309290
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(COc2ccc(C)cc2C)nc2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN2O2/c1-4-24-10-9-23-18-7-6-16(21)12-17(18)22-20(23)13-25-19-8-5-14(2)11-15(19)3/h5-8,11-12H,4,9-10,13H2,1-3H3
InChIKeyFLYLVPQJXMUNML-UHFFFAOYSA-N
XLogP4.92
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309291
5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46308742
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole
CID 46309156
5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,4-dimethylphenoxy)methyl]benzimidazole
CID 46309847
6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46309283
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
CID 46310370
4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine
CID 46309567
5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole
CID 46308613
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
N-butyl-N-[3-[5-chloro-2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]propyl]butan-1-amine
CID 46309703
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole
CID 46310252
(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 51977609

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole?
The IUPAC name of 5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole (CID 46309290) is 5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole?
The canonical SMILES for 5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole is CCOCCn1c(COc2ccc(C)cc2C)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole?
The InChIKey is FLYLVPQJXMUNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-4-24-10-9-23-18-7-6-16(21)12-17(18)22-20(23)13-25-19-8-5-14(2)11-15(19)3/h5-8,11-12H,4,9-10,13H2,1-3H3.
What are the key properties of 5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole?
5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole has a molecular weight of 358.87 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole is sourced from PubChem (CID 46309290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).