5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid

C12H8N2O3S — CID 62206739

IUPAC5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C12H8N2O3S/c15-11(16)9-5-6-10(17-9)18-12-13-7-3-1-2-4-8(7)14-12/h1-6H,(H,13,14)(H,15,16)
InChIKeyIXZCZPDMLXLLKE-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.01
Rot. Bonds3

About 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid

5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid (PubChem CID 62206739) has the molecular formula C12H8N2O3S and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid
PubChem CID62206739
Molecular FormulaC12H8N2O3S
Molecular Weight260.27 g/mol
Exact Mass260.03
IUPAC Name5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C12H8N2O3S/c15-11(16)9-5-6-10(17-9)18-12-13-7-3-1-2-4-8(7)14-12/h1-6H,(H,13,14)(H,15,16)
InChIKeyIXZCZPDMLXLLKE-UHFFFAOYSA-N
XLogP3.01
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane
CID 145098806
5-(1H-benzimidazol-2-ylsulfanyl)-N-phenylfuran-2-carboxamide
CID 121395569
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carbaldehyde
CID 698427
1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone
CID 104651931
6-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 62240073
4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylfuran-2-carboxylic acid
CID 539647
1-[5-(1H-benzimidazol-2-ylsulfanylmethyl)furan-2-yl]-2,2,2-trifluoroethanone
CID 2225945
5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-carboxylic acid
CID 78929695
(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one
CID 135207995
3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-5-oxo-2H-furan-2-carboxylic acid
CID 18758516
2-(1H-benzimidazol-2-ylsulfanyl)-5-bromobenzoic acid
CID 114896212
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
CID 126189660

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid (CID 62206739) is 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid is O=C(O)c1ccc(Sc2nc3ccccc3[nH]2)o1.
What is the InChIKey of 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid?
The InChIKey is IXZCZPDMLXLLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S/c15-11(16)9-5-6-10(17-9)18-12-13-7-3-1-2-4-8(7)14-12/h1-6H,(H,13,14)(H,15,16).
What are the key properties of 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid?
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid is sourced from PubChem (CID 62206739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).