1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one

C18H15N3O2S2 — CID 54244016

IUPAC1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one
SMILESCC(=O)Cn1c(S(=O)Cc2nccc3ccsc23)nc2ccccc21
InChIInChI=1S/C18H15N3O2S2/c1-12(22)10-21-16-5-3-2-4-14(16)20-18(21)25(23)11-15-17-13(6-8-19-15)7-9-24-17/h2-9H,10-11H2,1H3
InChIKeyQRYSMHVOPIZFNP-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.54
Rot. Bonds5

About 1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one

1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one (PubChem CID 54244016) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one
PubChem CID54244016
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one
SMILESCC(=O)Cn1c(S(=O)Cc2nccc3ccsc23)nc2ccccc21
InChIInChI=1S/C18H15N3O2S2/c1-12(22)10-21-16-5-3-2-4-14(16)20-18(21)25(23)11-15-17-13(6-8-19-15)7-9-24-17/h2-9H,10-11H2,1H3
InChIKeyQRYSMHVOPIZFNP-UHFFFAOYSA-N
XLogP3.54
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate
CID 14461496
1-[2-[(6-methoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]-3,3-dimethylbutan-2-one
CID 19840297
ethyl 2-[2-(pyridin-2-ylmethylsulfinyl)benzimidazol-1-yl]acetate
CID 20518166
2-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]ethanol
CID 67041377
[2-[[6-methoxy-7-(2,2,2-trifluoroethoxy)isoquinolin-1-yl]methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate
CID 14622530
2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]-1-(2-piperidin-1-ylethyl)benzimidazole
CID 14894184
1-(benzenesulfonyl)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole
CID 20583459
2-[4-[2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetic acid
CID 59999615
2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1-phenylsulfanylperoxybenzimidazole
CID 59316691
1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone
CID 60778644
N-ethyl-2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-N-methylbenzimidazole-1-carboxamide
CID 123817833
1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one
CID 66728095

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one?
The IUPAC name of 1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one (CID 54244016) is 1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one.
What is the SMILES notation for 1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one?
The canonical SMILES for 1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one is CC(=O)Cn1c(S(=O)Cc2nccc3ccsc23)nc2ccccc21.
What is the InChIKey of 1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one?
The InChIKey is QRYSMHVOPIZFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-12(22)10-21-16-5-3-2-4-14(16)20-18(21)25(23)11-15-17-13(6-8-19-15)7-9-24-17/h2-9H,10-11H2,1H3.
What are the key properties of 1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one?
1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one has a molecular weight of 369.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazol-1-yl]propan-2-one is sourced from PubChem (CID 54244016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).