5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole

C20H23ClN2O2 — CID 46308613

IUPAC5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole
SMILESCOCCCn1c(COc2cccc(C)c2C)nc2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN2O2/c1-14-6-4-7-19(15(14)2)25-13-20-22-17-12-16(21)8-9-18(17)23(20)10-5-11-24-3/h4,6-9,12H,5,10-11,13H2,1-3H3
InChIKeyMCCFHDHAYLYVKA-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.92
Rot. Bonds7

About 5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole

5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole (PubChem CID 46308613) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole
PubChem CID46308613
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole
SMILESCOCCCn1c(COc2cccc(C)c2C)nc2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN2O2/c1-14-6-4-7-19(15(14)2)25-13-20-22-17-12-16(21)8-9-18(17)23(20)10-5-11-24-3/h4,6-9,12H,5,10-11,13H2,1-3H3
InChIKeyMCCFHDHAYLYVKA-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

2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxylic acid
CID 46308548
5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46308742
1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole
CID 16996898
2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145306
2-[6-chloro-2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine
CID 46309426
2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
CID 16997332
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571
5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46309158
2-[(4-chlorophenyl)methyl]-1-[4-(2,3-dimethylphenoxy)butyl]benzimidazole
CID 16995841
5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309290
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-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole?
The IUPAC name of 5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole (CID 46308613) is 5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole?
The canonical SMILES for 5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole is COCCCn1c(COc2cccc(C)c2C)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole?
The InChIKey is MCCFHDHAYLYVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14-6-4-7-19(15(14)2)25-13-20-22-17-12-16(21)8-9-18(17)23(20)10-5-11-24-3/h4,6-9,12H,5,10-11,13H2,1-3H3.
What are the key properties of 5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole?
5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)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-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole is sourced from PubChem (CID 46308613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).