5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole

C20H23ClN2O2 — CID 46308742

IUPAC5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCCOCCCn1c(COc2ccccc2C)nc2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN2O2/c1-3-24-12-6-11-23-18-10-9-16(21)13-17(18)22-20(23)14-25-19-8-5-4-7-15(19)2/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3
InChIKeyTVQZZAZCJUYLQL-UHFFFAOYSA-N
MW358.87 g/mol
LogP5.00
Rot. Bonds8

About 5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole

5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole (PubChem CID 46308742) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole
PubChem CID46308742
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCCOCCCn1c(COc2ccccc2C)nc2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN2O2/c1-3-24-12-6-11-23-18-10-9-16(21)13-17(18)22-20(23)14-25-19-8-5-4-7-15(19)2/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3
InChIKeyTVQZZAZCJUYLQL-UHFFFAOYSA-N
XLogP5.00
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 55.00
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-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46309283
5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309290
5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole
CID 46308613
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
1-[3-(3,5-dimethylphenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997760
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309291
5-chloro-1-(3-ethoxypropyl)-2-(3-methylphenyl)benzimidazole
CID 46308726
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16997226
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997767
3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46309007

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole (CID 46308742) is 5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole is CCOCCCn1c(COc2ccccc2C)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
The InChIKey is TVQZZAZCJUYLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-3-24-12-6-11-23-18-10-9-16(21)13-17(18)22-20(23)14-25-19-8-5-4-7-15(19)2/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3.
What are the key properties of 5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole has a molecular weight of 358.87 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 46308742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).