5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile

C14H11N3O3S — CID 25190916

IUPAC5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile
SMILESCOc1cc2ncn(-c3cc(O)c(C#N)s3)c2cc1OC
InChIInChI=1S/C14H11N3O3S/c1-19-11-3-8-9(4-12(11)20-2)17(7-16-8)14-5-10(18)13(6-15)21-14/h3-5,7,18H,1-2H3
InChIKeyGOAXFSPVADHMNS-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.68
Rot. Bonds3

About 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile

5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile (PubChem CID 25190916) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile
PubChem CID25190916
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile
SMILESCOc1cc2ncn(-c3cc(O)c(C#N)s3)c2cc1OC
InChIInChI=1S/C14H11N3O3S/c1-19-11-3-8-9(4-12(11)20-2)17(7-16-8)14-5-10(18)13(6-15)21-14/h3-5,7,18H,1-2H3
InChIKeyGOAXFSPVADHMNS-UHFFFAOYSA-N
XLogP2.68
TPSA80.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Analyze 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile 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

1-Phenylbenzimidazole deriv. 95
CID 5328493
5-[5-(3-hydroxypropoxy)-6-methoxy-1H-1,3-benzodiazol-1-yl]-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carbonitrile
CID 11584228
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile
CID 11625181
Gsk-319347A
CID 11626927
5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carbonitrile
CID 25190915
Benzimidazole-thiophene carbonitrile, 3
CID 25190913
1-Phenylbenzimidazole deriv. 94
CID 5328492
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[2-(morpholin-4-yl)ethoxy]thiophene-2-carbonitrile
CID 11546115
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile
CID 11655827
3-(cyclopropylmethoxy)-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carbonitrile
CID 25190917
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[2-(piperidin-1-yl)ethoxy]thiophene-2-carbonitrile
CID 25190918
2-Thiophenecarboxylic acid, 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-hydroxy-, methyl ester
CID 54728879

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile?
The IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile (CID 25190916) is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile.
What is the SMILES notation for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile?
The canonical SMILES for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile is COc1cc2ncn(-c3cc(O)c(C#N)s3)c2cc1OC.
What is the InChIKey of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile?
The InChIKey is GOAXFSPVADHMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-19-11-3-8-9(4-12(11)20-2)17(7-16-8)14-5-10(18)13(6-15)21-14/h3-5,7,18H,1-2H3.
What are the key properties of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile?
5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile has a molecular weight of 301.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carbonitrile is sourced from PubChem (CID 25190916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).