2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole

C17H13N3O2S2 — CID 19866731

IUPAC2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole
SMILESCOc1ccnc(-c2sccc2S(=O)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H13N3O2S2/c1-22-11-6-8-18-14(10-11)16-15(7-9-23-16)24(21)17-19-12-4-2-3-5-13(12)20-17/h2-10H,1H3,(H,19,20)
InChIKeyDBTVWBXOHFIDSI-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.86
Rot. Bonds4

About 2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole

2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole (PubChem CID 19866731) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole
PubChem CID19866731
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC Name2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole
SMILESCOc1ccnc(-c2sccc2S(=O)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H13N3O2S2/c1-22-11-6-8-18-14(10-11)16-15(7-9-23-16)24(21)17-19-12-4-2-3-5-13(12)20-17/h2-10H,1H3,(H,19,20)
InChIKeyDBTVWBXOHFIDSI-UHFFFAOYSA-N
XLogP3.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole?
The IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole (CID 19866731) is 2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole is COc1ccnc(-c2sccc2S(=O)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole?
The InChIKey is DBTVWBXOHFIDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2/c1-22-11-6-8-18-14(10-11)16-15(7-9-23-16)24(21)17-19-12-4-2-3-5-13(12)20-17/h2-10H,1H3,(H,19,20).
What are the key properties of 2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole?
2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole has a molecular weight of 355.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2-pyridinyl)thiophen-3-yl]sulfinyl-1H-benzimidazole is sourced from PubChem (CID 19866731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).