6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole

C19H21ClN2O2 — CID 46309283

IUPAC6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCCOCCn1c(COc2ccccc2C)nc2ccc(Cl)cc21
InChIInChI=1S/C19H21ClN2O2/c1-3-23-11-10-22-17-12-15(20)8-9-16(17)21-19(22)13-24-18-7-5-4-6-14(18)2/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyIQZUUZNAOGRGJV-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.61
Rot. Bonds7

About 6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole

6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole (PubChem CID 46309283) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
PubChem CID46309283
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCCOCCn1c(COc2ccccc2C)nc2ccc(Cl)cc21
InChIInChI=1S/C19H21ClN2O2/c1-3-23-11-10-22-17-12-15(20)8-9-16(17)21-19(22)13-24-18-7-5-4-6-14(18)2/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyIQZUUZNAOGRGJV-UHFFFAOYSA-N
XLogP4.61
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.61
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
5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309290
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole
CID 46309156
2-[6-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanamine
CID 46309314
6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46310244
2-[6-chloro-2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine
CID 46309426
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 46309145
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
1-[3-(3,5-dimethylphenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997760

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole (CID 46309283) is 6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole is CCOCCn1c(COc2ccccc2C)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
The InChIKey is IQZUUZNAOGRGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-23-11-10-22-17-12-15(20)8-9-16(17)21-19(22)13-24-18-7-5-4-6-14(18)2/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of 6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole has a molecular weight of 344.84 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 46309283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).