2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole

C22H14N4O2 — CID 57047313

IUPAC2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESc1coc(-c2nc3ccc(-c4ccc5nc(-c6ccco6)[nH]c5c4)cc3[nH]2)c1
InChIInChI=1S/C22H14N4O2/c1-3-19(27-9-1)21-23-15-7-5-13(11-17(15)25-21)14-6-8-16-18(12-14)26-22(24-16)20-4-2-10-28-20/h1-12H,(H,23,25)(H,24,26)
InChIKeyBZUFFIVEKKDFOB-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.63
Rot. Bonds3

About 2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole

2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole (PubChem CID 57047313) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
PubChem CID57047313
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESc1coc(-c2nc3ccc(-c4ccc5nc(-c6ccco6)[nH]c5c4)cc3[nH]2)c1
InChIInChI=1S/C22H14N4O2/c1-3-19(27-9-1)21-23-15-7-5-13(11-17(15)25-21)14-6-8-16-18(12-14)26-22(24-16)20-4-2-10-28-20/h1-12H,(H,23,25)(H,24,26)
InChIKeyBZUFFIVEKKDFOB-UHFFFAOYSA-N
XLogP5.63
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(furan-2-yl)-1H-benzimidazole
CID 5056728
2-(furan-2-yl)-1H-benzimidazole;hydrochloride
CID 163330035
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-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole
CID 163695148
2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
CID 159684416
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-6-methylpyridazine-4-carboxamide
CID 99790473
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
CID 55946378
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide
CID 60557174
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The IUPAC name of 2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole (CID 57047313) is 2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole is c1coc(-c2nc3ccc(-c4ccc5nc(-c6ccco6)[nH]c5c4)cc3[nH]2)c1.
What is the InChIKey of 2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The InChIKey is BZUFFIVEKKDFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c1-3-19(27-9-1)21-23-15-7-5-13(11-17(15)25-21)14-6-8-16-18(12-14)26-22(24-16)20-4-2-10-28-20/h1-12H,(H,23,25)(H,24,26).
What are the key properties of 2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole has a molecular weight of 366.38 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 57047313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).