2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol

C17H17Cl2N3O2 — CID 166184268

IUPAC2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c18-12-5-6-16(13(19)11-12)24-10-8-22-15-4-2-1-3-14(15)21-17(22)20-7-9-23/h1-6,11,23H,7-10H2,(H,20,21)
InChIKeyDQRHSXYMFPMMQG-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.83
Rot. Bonds7

About 2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol

2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol (PubChem CID 166184268) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol
PubChem CID166184268
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c18-12-5-6-16(13(19)11-12)24-10-8-22-15-4-2-1-3-14(15)21-17(22)20-7-9-23/h1-6,11,23H,7-10H2,(H,20,21)
InChIKeyDQRHSXYMFPMMQG-UHFFFAOYSA-N
XLogP3.83
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol with MolForge

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Related Compounds

3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
CID 43828964
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride
CID 146052223
2-(2,4-dichlorophenoxy)-N-(1-methylbenzimidazol-2-yl)acetamide
CID 35280310
2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 3107569
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997200
2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 154746527
2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
CID 51110492
2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 51142216
1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]-3-phenylthiourea
CID 4306916
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
CID 78881116

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol?
The IUPAC name of 2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol (CID 166184268) is 2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol is OCCNc1nc2ccccc2n1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol?
The InChIKey is DQRHSXYMFPMMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-12-5-6-16(13(19)11-12)24-10-8-22-15-4-2-1-3-14(15)21-17(22)20-7-9-23/h1-6,11,23H,7-10H2,(H,20,21).
What are the key properties of 2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol?
2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol has a molecular weight of 366.25 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol is sourced from PubChem (CID 166184268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).