5-methoxy-1-thiophen-3-ylbenzimidazole

C12H10N2OS — CID 5328493

IUPAC5-methoxy-1-thiophen-3-ylbenzimidazole
SMILESCOc1ccc2c(c1)ncn2-c1ccsc1
InChIInChI=1S/C12H10N2OS/c1-15-10-2-3-12-11(6-10)13-8-14(12)9-4-5-16-7-9/h2-8H,1H3
InChIKeyXBRXJBQOLZZMNF-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.10
Rot. Bonds2

About 5-methoxy-1-thiophen-3-ylbenzimidazole

5-methoxy-1-thiophen-3-ylbenzimidazole (PubChem CID 5328493) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-methoxy-1-thiophen-3-ylbenzimidazole.

Molecular Properties

Compound Name5-methoxy-1-thiophen-3-ylbenzimidazole
PubChem CID5328493
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name5-methoxy-1-thiophen-3-ylbenzimidazole
SMILESCOc1ccc2c(c1)ncn2-c1ccsc1
InChIInChI=1S/C12H10N2OS/c1-15-10-2-3-12-11(6-10)13-8-14(12)9-4-5-16-7-9/h2-8H,1H3
InChIKeyXBRXJBQOLZZMNF-UHFFFAOYSA-N
XLogP3.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-thiophen-3-ylbenzimidazole?
The IUPAC name of 5-methoxy-1-thiophen-3-ylbenzimidazole (CID 5328493) is 5-methoxy-1-thiophen-3-ylbenzimidazole.
What is the SMILES notation for 5-methoxy-1-thiophen-3-ylbenzimidazole?
The canonical SMILES for 5-methoxy-1-thiophen-3-ylbenzimidazole is COc1ccc2c(c1)ncn2-c1ccsc1.
What is the InChIKey of 5-methoxy-1-thiophen-3-ylbenzimidazole?
The InChIKey is XBRXJBQOLZZMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-15-10-2-3-12-11(6-10)13-8-14(12)9-4-5-16-7-9/h2-8H,1H3.
What are the key properties of 5-methoxy-1-thiophen-3-ylbenzimidazole?
5-methoxy-1-thiophen-3-ylbenzimidazole has a molecular weight of 230.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-thiophen-3-ylbenzimidazole is sourced from PubChem (CID 5328493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).