1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole

C17H17N3O2S — CID 67585346

IUPAC1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole
SMILESO=S(Cc1cc(OCC2CC2)ccn1)n1cnc2ccccc21
InChIInChI=1S/C17H17N3O2S/c21-23(20-12-19-16-3-1-2-4-17(16)20)11-14-9-15(7-8-18-14)22-10-13-5-6-13/h1-4,7-9,12-13H,5-6,10-11H2
InChIKeyDHGRTRSFHVKUCL-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.93
Rot. Bonds6

About 1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole

1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole (PubChem CID 67585346) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole.

Molecular Properties

Compound Name1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole
PubChem CID67585346
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole
SMILESO=S(Cc1cc(OCC2CC2)ccn1)n1cnc2ccccc21
InChIInChI=1S/C17H17N3O2S/c21-23(20-12-19-16-3-1-2-4-17(16)20)11-14-9-15(7-8-18-14)22-10-13-5-6-13/h1-4,7-9,12-13H,5-6,10-11H2
InChIKeyDHGRTRSFHVKUCL-UHFFFAOYSA-N
XLogP2.93
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole?
The IUPAC name of 1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole (CID 67585346) is 1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole.
What is the SMILES notation for 1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole?
The canonical SMILES for 1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole is O=S(Cc1cc(OCC2CC2)ccn1)n1cnc2ccccc21.
What is the InChIKey of 1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole?
The InChIKey is DHGRTRSFHVKUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-23(20-12-19-16-3-1-2-4-17(16)20)11-14-9-15(7-8-18-14)22-10-13-5-6-13/h1-4,7-9,12-13H,5-6,10-11H2.
What are the key properties of 1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole?
1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole has a molecular weight of 327.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole is sourced from PubChem (CID 67585346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).