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

C14H14N2O3S — CID 145098806

IUPAC5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1ccc(Sc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C12H8N2O3S.C2H6/c15-11(16)9-5-6-10(17-9)18-12-13-7-3-1-2-4-8(7)14-12;1-2/h1-6H,(H,13,14)(H,15,16);1-2H3
InChIKeyPARFCDWMXCRWMQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP4.03
Rot. Bonds3

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

5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane (PubChem CID 145098806) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane
PubChem CID145098806
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1ccc(Sc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C12H8N2O3S.C2H6/c15-11(16)9-5-6-10(17-9)18-12-13-7-3-1-2-4-8(7)14-12;1-2/h1-6H,(H,13,14)(H,15,16);1-2H3
InChIKeyPARFCDWMXCRWMQ-UHFFFAOYSA-N
XLogP4.03
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid
CID 62206739
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
4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylfuran-2-carboxylic acid
CID 539647
6-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 62240073
1H-benzimidazol-2-ylsulfanyl acetate
CID 57284841
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
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
N-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3525797
(Z)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 21212311

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane?
The IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane (CID 145098806) is 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane?
The canonical SMILES for 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane is CC.O=C(O)c1ccc(Sc2nc3ccccc3[nH]2)o1.
What is the InChIKey of 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane?
The InChIKey is PARFCDWMXCRWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S.C2H6/c15-11(16)9-5-6-10(17-9)18-12-13-7-3-1-2-4-8(7)14-12;1-2/h1-6H,(H,13,14)(H,15,16);1-2H3.
What are the key properties of 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane?
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane has a molecular weight of 290.34 g/mol, XLogP of 4.03, 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;ethane is sourced from PubChem (CID 145098806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).