2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol

C16H13Cl3N2O2 — CID 9013564

IUPAC2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(COc2ccc(Cl)cc2Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H13Cl3N2O2/c17-10-2-4-15(12(19)7-10)23-9-16-20-13-3-1-11(18)8-14(13)21(16)5-6-22/h1-4,7-8,22H,5-6,9H2
InChIKeyJYYUUFRWIRRSNG-UHFFFAOYSA-N
MW371.65 g/mol
LogP4.57
Rot. Bonds5

About 2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol

2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol (PubChem CID 9013564) has the molecular formula C16H13Cl3N2O2 and a molecular weight of 371.65 g/mol. Its IUPAC name is 2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol
PubChem CID9013564
Molecular FormulaC16H13Cl3N2O2
Molecular Weight371.65 g/mol
Exact Mass370.00
IUPAC Name2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(COc2ccc(Cl)cc2Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H13Cl3N2O2/c17-10-2-4-15(12(19)7-10)23-9-16-20-13-3-1-11(18)8-14(13)21(16)5-6-22/h1-4,7-8,22H,5-6,9H2
InChIKeyJYYUUFRWIRRSNG-UHFFFAOYSA-N
XLogP4.57
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol (CID 9013564) is 2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol is OCCn1c(COc2ccc(Cl)cc2Cl)nc2ccc(Cl)cc21.
What is the InChIKey of 2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
The InChIKey is JYYUUFRWIRRSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2/c17-10-2-4-15(12(19)7-10)23-9-16-20-13-3-1-11(18)8-14(13)21(16)5-6-22/h1-4,7-8,22H,5-6,9H2.
What are the key properties of 2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol?
2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol has a molecular weight of 371.65 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 9013564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).