2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol

C13H11ClN2O2 — CID 46308220

IUPAC2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(-c2ccco2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H11ClN2O2/c14-9-3-4-11-10(8-9)15-13(16(11)5-6-17)12-2-1-7-18-12/h1-4,7-8,17H,5-6H2
InChIKeyTXLIYWYEFMCITP-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.94
Rot. Bonds3

About 2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol

2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol (PubChem CID 46308220) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol
PubChem CID46308220
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(-c2ccco2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H11ClN2O2/c14-9-3-4-11-10(8-9)15-13(16(11)5-6-17)12-2-1-7-18-12/h1-4,7-8,17H,5-6H2
InChIKeyTXLIYWYEFMCITP-UHFFFAOYSA-N
XLogP2.94
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol (CID 46308220) is 2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol is OCCn1c(-c2ccco2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol?
The InChIKey is TXLIYWYEFMCITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-9-3-4-11-10(8-9)15-13(16(11)5-6-17)12-2-1-7-18-12/h1-4,7-8,17H,5-6H2.
What are the key properties of 2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol?
2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol has a molecular weight of 262.70 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 46308220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).