2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole

C19H21ClN2O2 — CID 70113912

IUPAC2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(COc2ccc(CCl)cc2)nc2ccccc21
InChIInChI=1S/C19H21ClN2O2/c1-2-23-12-11-22-18-6-4-3-5-17(18)21-19(22)14-24-16-9-7-15(13-20)8-10-16/h3-10H,2,11-14H2,1H3
InChIKeyLMBCXNZDHYPDCI-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.39
Rot. Bonds8

About 2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole

2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole (PubChem CID 70113912) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole
PubChem CID70113912
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(COc2ccc(CCl)cc2)nc2ccccc21
InChIInChI=1S/C19H21ClN2O2/c1-2-23-12-11-22-18-6-4-3-5-17(18)21-19(22)14-24-16-9-7-15(13-20)8-10-16/h3-10H,2,11-14H2,1H3
InChIKeyLMBCXNZDHYPDCI-UHFFFAOYSA-N
XLogP4.39
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998302
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 16998345
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid
CID 46309221
2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
CID 3027324
3-[2-[[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methoxy]phenyl]methyl]tetrazol-5-yl]-6-hydroxy-1H-quinolin-2-one
CID 135574119
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole
CID 63664998

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole?
The IUPAC name of 2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole (CID 70113912) is 2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole.
What is the SMILES notation for 2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole?
The canonical SMILES for 2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole is CCOCCn1c(COc2ccc(CCl)cc2)nc2ccccc21.
What is the InChIKey of 2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole?
The InChIKey is LMBCXNZDHYPDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-23-12-11-22-18-6-4-3-5-17(18)21-19(22)14-24-16-9-7-15(13-20)8-10-16/h3-10H,2,11-14H2,1H3.
What are the key properties of 2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole?
2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole has a molecular weight of 344.84 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole is sourced from PubChem (CID 70113912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).