2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole

C19H21ClN2O2 — CID 16999033

IUPAC2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(C(C)Oc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H21ClN2O2/c1-3-23-13-12-22-18-7-5-4-6-17(18)21-19(22)14(2)24-16-10-8-15(20)9-11-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyNOFQMFAYFRHNJB-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.87
Rot. Bonds7

About 2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole

2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole (PubChem CID 16999033) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
PubChem CID16999033
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(C(C)Oc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H21ClN2O2/c1-3-23-13-12-22-18-7-5-4-6-17(18)21-19(22)14(2)24-16-10-8-15(20)9-11-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyNOFQMFAYFRHNJB-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
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-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
CID 16998965
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 16998977
2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16971996
2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16999005
2-[1-(4-chlorophenoxy)ethyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16998999
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
2-[1-(4-chlorophenoxy)ethyl]-1-[3-(2,3-dimethylphenoxy)propyl]benzimidazole
CID 16998981
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16998964
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
CID 16998835

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole?
The IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole (CID 16999033) is 2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole.
What is the SMILES notation for 2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole?
The canonical SMILES for 2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole is CCOCCn1c(C(C)Oc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole?
The InChIKey is NOFQMFAYFRHNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-23-13-12-22-18-7-5-4-6-17(18)21-19(22)14(2)24-16-10-8-15(20)9-11-16/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole?
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole has a molecular weight of 344.84 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole is sourced from PubChem (CID 16999033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).