4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid

C18H12N2O4 — CID 86202893

IUPAC4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccco3)c(-c3ccco3)[nH]2)cc1
InChIInChI=1S/C18H12N2O4/c21-18(22)12-7-5-11(6-8-12)17-19-15(13-3-1-9-23-13)16(20-17)14-4-2-10-24-14/h1-10H,(H,19,20)(H,21,22)
InChIKeyNQCRGQHPZBANBP-UHFFFAOYSA-N
MW320.30 g/mol
LogP4.29
Rot. Bonds4

About 4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid

4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid (PubChem CID 86202893) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid
PubChem CID86202893
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccco3)c(-c3ccco3)[nH]2)cc1
InChIInChI=1S/C18H12N2O4/c21-18(22)12-7-5-11(6-8-12)17-19-15(13-3-1-9-23-13)16(20-17)14-4-2-10-24-14/h1-10H,(H,19,20)(H,21,22)
InChIKeyNQCRGQHPZBANBP-UHFFFAOYSA-N
XLogP4.29
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-[4-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]benzoyl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 135533952
4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 3123820
4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
CID 155666200
4-[2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid
CID 23998325
4,5-bis(furan-2-yl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 4881297
4-[2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]benzoic acid
CID 23998139
4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid
CID 67074198
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
4-[4-[4-[4-[2-(4-carboxyphenyl)-5-(4-nitrophenyl)-1H-imidazol-4-yl]phenoxy]phenyl]-5-(4-nitrophenyl)-1H-imidazol-2-yl]benzoic acid
CID 11980146
4-[4-[4-[4-[2-(4-carboxyphenyl)-4-(4-nitrophenyl)-1H-imidazol-5-yl]phenoxy]phenyl]-5-(4-nitrophenyl)-1H-imidazol-2-yl]benzoic acid
CID 135645773
4-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide
CID 18463732
acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)
CID 163330799

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid?
The IUPAC name of 4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid (CID 86202893) is 4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid?
The canonical SMILES for 4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid is O=C(O)c1ccc(-c2nc(-c3ccco3)c(-c3ccco3)[nH]2)cc1.
What is the InChIKey of 4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid?
The InChIKey is NQCRGQHPZBANBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-18(22)12-7-5-11(6-8-12)17-19-15(13-3-1-9-23-13)16(20-17)14-4-2-10-24-14/h1-10H,(H,19,20)(H,21,22).
What are the key properties of 4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid?
4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid has a molecular weight of 320.30 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid is sourced from PubChem (CID 86202893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).