2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

C15H12Cl2N2O — CID 141472287

IUPAC2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESOC(Cn1cnc2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-10-5-6-11(12(17)7-10)15(20)8-19-9-18-13-3-1-2-4-14(13)19/h1-7,9,15,20H,8H2
InChIKeyIPBFGNUYIFBTHG-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.08
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (PubChem CID 141472287) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
PubChem CID141472287
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESOC(Cn1cnc2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-10-5-6-11(12(17)7-10)15(20)8-19-9-18-13-3-1-2-4-14(13)19/h1-7,9,15,20H,8H2
InChIKeyIPBFGNUYIFBTHG-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (CID 141472287) is 2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is OC(Cn1cnc2ccccc21)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is IPBFGNUYIFBTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-10-5-6-11(12(17)7-10)15(20)8-19-9-18-13-3-1-2-4-14(13)19/h1-7,9,15,20H,8H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 307.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 141472287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).