2-(furan-2-yl)-1H-benzimidazole;hydrochloride

C11H9ClN2O — CID 163330035

IUPAC2-(furan-2-yl)-1H-benzimidazole;hydrochloride
SMILESCl.c1coc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C11H8N2O.ClH/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;/h1-7H,(H,12,13);1H
InChIKeyCNYJNVVPAJOMKW-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.24
Rot. Bonds1

About 2-(furan-2-yl)-1H-benzimidazole;hydrochloride

2-(furan-2-yl)-1H-benzimidazole;hydrochloride (PubChem CID 163330035) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-(furan-2-yl)-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-(furan-2-yl)-1H-benzimidazole;hydrochloride
PubChem CID163330035
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-(furan-2-yl)-1H-benzimidazole;hydrochloride
SMILESCl.c1coc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C11H8N2O.ClH/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;/h1-7H,(H,12,13);1H
InChIKeyCNYJNVVPAJOMKW-UHFFFAOYSA-N
XLogP3.24
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 57047313
6-chloro-2-(furan-2-yl)-1H-benzimidazole
CID 5056728
2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole
CID 2110554
5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole
CID 79630468
2-(furan-2-yl)-3H-imidazo[4,5-f]quinoxaline
CID 13428669
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
[2-(furan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721099
2-(furan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81136731
5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole
CID 135995577
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1H-benzimidazole;hydrochloride?
The IUPAC name of 2-(furan-2-yl)-1H-benzimidazole;hydrochloride (CID 163330035) is 2-(furan-2-yl)-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 2-(furan-2-yl)-1H-benzimidazole;hydrochloride?
The canonical SMILES for 2-(furan-2-yl)-1H-benzimidazole;hydrochloride is Cl.c1coc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(furan-2-yl)-1H-benzimidazole;hydrochloride?
The InChIKey is CNYJNVVPAJOMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O.ClH/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;/h1-7H,(H,12,13);1H.
What are the key properties of 2-(furan-2-yl)-1H-benzimidazole;hydrochloride?
2-(furan-2-yl)-1H-benzimidazole;hydrochloride has a molecular weight of 220.66 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 163330035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).