5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole

C14H14N2O2S — CID 39158334

IUPAC5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole
SMILESCOc1cc2nc(Cc3cccs3)[nH]c2cc1OC
InChIInChI=1S/C14H14N2O2S/c1-17-12-7-10-11(8-13(12)18-2)16-14(15-10)6-9-4-3-5-19-9/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyNDBBLRLKUOILKS-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.23
Rot. Bonds4

About 5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole

5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole (PubChem CID 39158334) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole
PubChem CID39158334
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole
SMILESCOc1cc2nc(Cc3cccs3)[nH]c2cc1OC
InChIInChI=1S/C14H14N2O2S/c1-17-12-7-10-11(8-13(12)18-2)16-14(15-10)6-9-4-3-5-19-9/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyNDBBLRLKUOILKS-UHFFFAOYSA-N
XLogP3.23
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The IUPAC name of 5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole (CID 39158334) is 5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole is COc1cc2nc(Cc3cccs3)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The InChIKey is NDBBLRLKUOILKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-17-12-7-10-11(8-13(12)18-2)16-14(15-10)6-9-4-3-5-19-9/h3-5,7-8H,6H2,1-2H3,(H,15,16).
What are the key properties of 5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole has a molecular weight of 274.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 39158334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).