2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol

C16H15ClN2O2 — CID 86297263

IUPAC2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(COc2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c17-12-4-3-5-13(10-12)21-11-16-18-14-6-1-2-7-15(14)19(16)8-9-20/h1-7,10,20H,8-9,11H2
InChIKeyYVCLNUMWIDKRDX-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.26
Rot. Bonds5

About 2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol

2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol (PubChem CID 86297263) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
PubChem CID86297263
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(COc2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c17-12-4-3-5-13(10-12)21-11-16-18-14-6-1-2-7-15(14)19(16)8-9-20/h1-7,10,20H,8-9,11H2
InChIKeyYVCLNUMWIDKRDX-UHFFFAOYSA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031971
2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
CID 82149283
2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 9013564
2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82149347
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16997219

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol (CID 86297263) is 2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol is OCCn1c(COc2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
The InChIKey is YVCLNUMWIDKRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-12-4-3-5-13(10-12)21-11-16-18-14-6-1-2-7-15(14)19(16)8-9-20/h1-7,10,20H,8-9,11H2.
What are the key properties of 2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol has a molecular weight of 302.76 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 86297263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).