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

C15H14N2O5S — CID 54728879

IUPACmethyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)cc1O
InChIInChI=1S/C15H14N2O5S/c1-20-11-4-8-9(5-12(11)21-2)17(7-16-8)13-6-10(18)14(23-13)15(19)22-3/h4-7,18H,1-3H3
InChIKeyXYKRAQWYSXZLET-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.60
Rot. Bonds4

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

methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate (PubChem CID 54728879) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate
PubChem CID54728879
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Namemethyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)cc1O
InChIInChI=1S/C15H14N2O5S/c1-20-11-4-8-9(5-12(11)21-2)17(7-16-8)13-6-10(18)14(23-13)15(19)22-3/h4-7,18H,1-3H3
InChIKeyXYKRAQWYSXZLET-UHFFFAOYSA-N
XLogP2.60
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate 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-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethoxy)phenyl]methoxy}thiophene-2-carboxamide
CID 9983158
3-[(3-aminophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 11743086
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide
CID 25190914
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[3-(dimethylamino)phenyl]methoxy}thiophene-2-carboxamide
CID 25263096
5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[(4-methoxybenzyl)oxy]thiophene-2-carboxamide
CID 25263098
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide
CID 25263099
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide
CID 25263100
5-[5,6-bis(methyloxy)-1H-benzimidazol-1-yl]-3-[(cyclohexylmethyl)oxy]-2-thiophenecarboxamide
CID 25263102
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide
CID 25263103
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide
CID 25263104
methyl 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[(2-trifluoromethylbenzyl)-oxy]thiophene-2-carboxylate
CID 25263110
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxylic acid
CID 25263111

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate?
The IUPAC name of methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate (CID 54728879) is methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate?
The canonical SMILES for methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate is COC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)cc1O.
What is the InChIKey of methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate?
The InChIKey is XYKRAQWYSXZLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-20-11-4-8-9(5-12(11)21-2)17(7-16-8)13-6-10(18)14(23-13)15(19)22-3/h4-7,18H,1-3H3.
What are the key properties of methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate?
methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate has a molecular weight of 334.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate is sourced from PubChem (CID 54728879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).