6-chloro-2-(furan-2-yl)-1H-benzimidazole

C11H7ClN2O — CID 5056728

IUPAC6-chloro-2-(furan-2-yl)-1H-benzimidazole
SMILESClc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C11H7ClN2O/c12-7-3-4-8-9(6-7)14-11(13-8)10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeyVYLYRJBQIPOPRK-UHFFFAOYSA-N
MW218.64 g/mol
LogP3.48
Rot. Bonds1

About 6-chloro-2-(furan-2-yl)-1H-benzimidazole

6-chloro-2-(furan-2-yl)-1H-benzimidazole (PubChem CID 5056728) has the molecular formula C11H7ClN2O and a molecular weight of 218.64 g/mol. Its IUPAC name is 6-chloro-2-(furan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(furan-2-yl)-1H-benzimidazole
PubChem CID5056728
Molecular FormulaC11H7ClN2O
Molecular Weight218.64 g/mol
Exact Mass218.02
IUPAC Name6-chloro-2-(furan-2-yl)-1H-benzimidazole
SMILESClc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C11H7ClN2O/c12-7-3-4-8-9(6-7)14-11(13-8)10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeyVYLYRJBQIPOPRK-UHFFFAOYSA-N
XLogP3.48
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(furan-2-yl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(furan-2-yl)-1H-benzimidazole (CID 5056728) is 6-chloro-2-(furan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(furan-2-yl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(furan-2-yl)-1H-benzimidazole is Clc1ccc2nc(-c3ccco3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-(furan-2-yl)-1H-benzimidazole?
The InChIKey is VYLYRJBQIPOPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O/c12-7-3-4-8-9(6-7)14-11(13-8)10-2-1-5-15-10/h1-6H,(H,13,14).
What are the key properties of 6-chloro-2-(furan-2-yl)-1H-benzimidazole?
6-chloro-2-(furan-2-yl)-1H-benzimidazole has a molecular weight of 218.64 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(furan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 5056728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).