2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole

C18H15N3O2S2 — CID 14154365

IUPAC2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
SMILESO=S(Cc1cc(OCc2ccccc2)ccn1)c1nc2cscc2[nH]1
InChIInChI=1S/C18H15N3O2S2/c22-25(18-20-16-10-24-11-17(16)21-18)12-14-8-15(6-7-19-14)23-9-13-4-2-1-3-5-13/h1-8,10-11H,9,12H2,(H,20,21)
InChIKeyWLDJQEAJNCYNQU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.91
Rot. Bonds6

About 2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole

2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole (PubChem CID 14154365) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole.

Molecular Properties

Compound Name2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
PubChem CID14154365
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
SMILESO=S(Cc1cc(OCc2ccccc2)ccn1)c1nc2cscc2[nH]1
InChIInChI=1S/C18H15N3O2S2/c22-25(18-20-16-10-24-11-17(16)21-18)12-14-8-15(6-7-19-14)23-9-13-4-2-1-3-5-13/h1-8,10-11H,9,12H2,(H,20,21)
InChIKeyWLDJQEAJNCYNQU-UHFFFAOYSA-N
XLogP3.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole?
The IUPAC name of 2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole (CID 14154365) is 2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole.
What is the SMILES notation for 2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole?
The canonical SMILES for 2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole is O=S(Cc1cc(OCc2ccccc2)ccn1)c1nc2cscc2[nH]1.
What is the InChIKey of 2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole?
The InChIKey is WLDJQEAJNCYNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c22-25(18-20-16-10-24-11-17(16)21-18)12-14-8-15(6-7-19-14)23-9-13-4-2-1-3-5-13/h1-8,10-11H,9,12H2,(H,20,21).
What are the key properties of 2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole?
2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole has a molecular weight of 369.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole is sourced from PubChem (CID 14154365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).