2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol

C16H14Cl2N2O2 — CID 46308197

IUPAC2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H14Cl2N2O2/c17-11-1-4-13(5-2-11)22-10-16-19-14-9-12(18)3-6-15(14)20(16)7-8-21/h1-6,9,21H,7-8,10H2
InChIKeyMJYUVLOVNSTJAM-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.91
Rot. Bonds5

About 2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol

2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol (PubChem CID 46308197) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
PubChem CID46308197
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H14Cl2N2O2/c17-11-1-4-13(5-2-11)22-10-16-19-14-9-12(18)3-6-15(14)20(16)7-8-21/h1-6,9,21H,7-8,10H2
InChIKeyMJYUVLOVNSTJAM-UHFFFAOYSA-N
XLogP3.91
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromopropyl)-5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 21188782
3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46309007
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
CID 28819102
3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 21188655
2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 86297263
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46309158
1-[3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]-N,N-dimethylpiperidin-4-amine
CID 21188553
N-butyl-N-[3-[5-chloro-2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]propyl]butan-1-amine
CID 46309703
2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 9013564
5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole
CID 46310104
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol (CID 46308197) is 2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol is OCCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
The InChIKey is MJYUVLOVNSTJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c17-11-1-4-13(5-2-11)22-10-16-19-14-9-12(18)3-6-15(14)20(16)7-8-21/h1-6,9,21H,7-8,10H2.
What are the key properties of 2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol has a molecular weight of 337.21 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 46308197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).